1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen

C114H115Cl5N16O12 — CID 159645014

IUPAC1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen
SMILESC=C(O)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.C=C(OC)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.CC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.CC(=O)c1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.O=C(c1ccc(-c2cccnc2)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H21ClN4O2.C23H22ClN3O3.C22H20ClN3O3.2C22H22ClN3O2.4H2/c26-21-7-8-22-20(14-21)15-23(28-22)25(32)30-12-10-29(11-13-30)24(31)18-5-3-17(4-6-18)19-2-1-9-27-16-19;1-15(30-2)16-4-3-5-17(12-16)22(28)26-8-10-27(11-9-26)23(29)21-14-18-13-19(24)6-7-20(18)25-21;1-14(27)15-2-4-16(5-3-15)21(28)25-8-10-26(11-9-25)22(29)20-13-17-12-18(23)6-7-19(17)24-20;1-15(27)17-4-2-16(3-5-17)14-25-8-10-26(11-9-25)22(28)21-13-18-12-19(23)6-7-20(18)24-21;1-15(27)17-4-2-3-16(11-17)14-25-7-9-26(10-8-25)22(28)21-13-18-12-19(23)5-6-20(18)24-21;;;;/h1-9,14-16,28H,10-13H2;3-7,12-14,25H,1,8-11H2,2H3;2-7,12-13,24H,8-11H2,1H3;2-7,12-13,24H,8-11,14H2,1H3;2-6,11-13,24,27H,1,7-10,14H2;4*1H
InChIKeyMQVPUCPWZXKUTA-UHFFFAOYSA-N
MW2078.54 g/mol
LogP21.41
Rot. Bonds18

About 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen

1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen (PubChem CID 159645014) has the molecular formula C114H115Cl5N16O12 and a molecular weight of 2078.54 g/mol. Its IUPAC name is 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen.

Molecular Properties

Compound Name1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen
PubChem CID159645014
Molecular FormulaC114H115Cl5N16O12
Molecular Weight2078.54 g/mol
Exact Mass2074.73
IUPAC Name1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen
SMILESC=C(O)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.C=C(OC)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.CC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.CC(=O)c1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.O=C(c1ccc(-c2cccnc2)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H21ClN4O2.C23H22ClN3O3.C22H20ClN3O3.2C22H22ClN3O2.4H2/c26-21-7-8-22-20(14-21)15-23(28-22)25(32)30-12-10-29(11-13-30)24(31)18-5-3-17(4-6-18)19-2-1-9-27-16-19;1-15(30-2)16-4-3-5-17(12-16)22(28)26-8-10-27(11-9-26)23(29)21-14-18-13-19(24)6-7-20(18)25-21;1-14(27)15-2-4-16(5-3-15)21(28)25-8-10-26(11-9-25)22(29)20-13-17-12-18(23)6-7-19(17)24-20;1-15(27)17-4-2-16(3-5-17)14-25-8-10-26(11-9-25)22(28)21-13-18-12-19(23)6-7-20(18)24-21;1-15(27)17-4-2-3-16(11-17)14-25-7-9-26(10-8-25)22(28)21-13-18-12-19(23)5-6-20(18)24-21;;;;/h1-9,14-16,28H,10-13H2;3-7,12-14,25H,1,8-11H2,2H3;2-7,12-13,24H,8-11H2,1H3;2-7,12-13,24H,8-11,14H2,1H3;2-6,11-13,24,27H,1,7-10,14H2;4*1H
InChIKeyMQVPUCPWZXKUTA-UHFFFAOYSA-N
XLogP21.41
TPSA324.40 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002078.54
LogP ≤ 521.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen with MolForge

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Related Compounds

[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;methyl 3-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]benzoate
CID 117978186
methyl 4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]benzoate;methyl 3-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]benzoate;methyl 4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]benzoate
CID 117978625
1H-indol-3-yl-[5-(1-methoxyethenyl)-2-pyridinyl]methanone;1H-indol-3-yl-(6-phenyl-2-pyridinyl)methanone;methyl 6-(5-chloro-1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(6-chloro-1H-indole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(1-methylindole-3-carbonyl)pyridine-2-carboxylate;methyl 6-(2-methyl-1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 157665654
3-acetyl-1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indole-5-carboxylic acid;2-(3-acetyl-5-methoxycarbonylindol-1-yl)acetic acid;(1R,3S,5R)-N-[(3-chloro-2-fluorophenyl)methyl]-2-azabicyclo[3.1.0]hexane-3-carboxamide;methyl 3-acetyl-1-[2-[(1R,3S,5R)-3-[(3-chloro-2-fluorophenyl)methylcarbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indole-5-carboxylate;hydrochloride
CID 158466857
bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
CID 158480461
5-chloro-N-[2-(2-cyclopropyl-4-piperidin-1-ylphenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2R)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2S)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(5-piperidin-1-yl-2-pyridinyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-6-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-7-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
CID 158649975
3-(2-aminoethyl)-5-chloro-1H-indole-2-carboxylic acid;3-(2-aminoethyl)-5-chloro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;1-[3-(2-azidoethyl)-5-chloro-1H-indol-2-yl]-4-(4-piperidin-1-ylphenyl)butan-1-one;tert-butyl N-[2-[5-chloro-2-[4-(4-piperidin-1-ylphenyl)butanoyl]-1H-indol-3-yl]ethyl]carbamate;1-[5-chloro-3-(2-isothiocyanatoethyl)-1H-indol-2-yl]-4-(4-piperidin-1-ylphenyl)butan-1-one;5-chloro-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1H-indole-2-carboxylic acid;6-chloro-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one;ethyl 5-chloro-3-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylate
CID 158757376
tris(6-chloro-2-methylquinoline);6-chloro-1H-quinolin-2-one;deuterio(fluoro)methane;2,6-dichloroquinoline;bis(1H-indole);3-(indol-1-ylmethyl)benzoic acid;methylboronic acid;methyl 3-(indol-1-ylmethyl)benzoate;phosphoryl trichloride
CID 159008165
5-chloro-N-ethyl-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(4-ethylphenyl)propan-2-yl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-5-methoxy-N-[[1-[2-(4-methoxyphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-5-methoxy-N-[[1-(2-phenylpropan-2-yl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[1-[(3-methylphenyl)methyl]cyclopropyl]piperidin-4-yl]methyl]-1H-indole-2-carboxamide;N-ethyl-N-[[1-[2-(4-methylphenyl)propan-2-yl]piperidin-3-yl]methyl]-1H-indole-2-carboxamide
CID 159221854
5-chloro-N-[2-(2-cyclopropyl-4-piperidin-1-ylphenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2R)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[(2S)-2-hydroxy-2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide;5-chloro-3-ethyl-N-[2-(5-piperidin-1-yl-2-pyridinyl)ethyl]-1H-indole-2-carboxamide;3-ethyl-6-fluoro-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
CID 159320437
2-[1-[(E)-3-(3,4-difluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;ethyl 3-[2-[4-[2-amino-1-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]benzoate;2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetic acid;2-[[4-(1H-indol-3-yl)cyclohexyl]amino]-2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]acetamide;methyl 2-[1-[(E)-3-(3-fluoro-5-methylphenyl)prop-2-enoyl]piperidin-4-yl]-2-[[4-(1H-indol-3-yl)cyclohexyl]amino]acetate;dihydrochloride
CID 160334631
2-[4-[[5-[[(1S)-1-(4-chloro-2-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(6-chloro-3-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(5-cyclopropyl-2-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1R)-1-(6-cyclopropyl-3-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid;2-[4-[[5-[[(1S)-1-(6-cyclopropyl-3-pyridinyl)ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid
CID 161921635

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen?
The IUPAC name of 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen (CID 159645014) is 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen.
What is the SMILES notation for 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen?
The canonical SMILES for 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen is C=C(O)c1cccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.C=C(OC)c1cccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c1.CC(=O)c1ccc(C(=O)N2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.CC(=O)c1ccc(CN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)cc1.O=C(c1ccc(-c2cccnc2)cc1)N1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen?
The InChIKey is MQVPUCPWZXKUTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O2.C23H22ClN3O3.C22H20ClN3O3.2C22H22ClN3O2.4H2/c26-21-7-8-22-20(14-21)15-23(28-22)25(32)30-12-10-29(11-13-30)24(31)18-5-3-17(4-6-18)19-2-1-9-27-16-19;1-15(30-2)16-4-3-5-17(12-16)22(28)26-8-10-27(11-9-26)23(29)21-14-18-13-19(24)6-7-20(18)25-21;1-14(27)15-2-4-16(5-3-15)21(28)25-8-10-26(11-9-25)22(29)20-13-17-12-18(23)6-7-19(17)24-20;1-15(27)17-4-2-16(3-5-17)14-25-8-10-26(11-9-25)22(28)21-13-18-12-19(23)6-7-20(18)24-21;1-15(27)17-4-2-3-16(11-17)14-25-7-9-26(10-8-25)22(28)21-13-18-12-19(23)5-6-20(18)24-21;;;;/h1-9,14-16,28H,10-13H2;3-7,12-14,25H,1,8-11H2,2H3;2-7,12-13,24H,8-11H2,1H3;2-7,12-13,24H,8-11,14H2,1H3;2-6,11-13,24,27H,1,7-10,14H2;4*1H.
What are the key properties of 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen?
1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen has a molecular weight of 2078.54 g/mol, XLogP of 21.41, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-chloro-1H-indole-2-carbonyl)piperazine-1-carbonyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-[3-(1-methoxyethenyl)phenyl]methanone;1-[4-[[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]phenyl]ethanone;[4-(5-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(4-pyridin-3-ylphenyl)methanone;(5-chloro-1H-indol-2-yl)-[4-[[3-(1-hydroxyethenyl)phenyl]methyl]piperazin-1-yl]methanone;molecular hydrogen is sourced from PubChem (CID 159645014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).