[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone

C116H130Cl4N10O10 — CID 159675900

IUPAC[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12
InChIInChI=1S/C31H34ClN3O2.C30H31ClN2O3.C28H34ClN3O2.C27H31ClN2O3/c1-37-29-15-7-13-26-27(31(36)24-10-3-2-4-11-24)23-35(30(26)29)19-9-17-33-16-8-18-34(21-20-33)22-25-12-5-6-14-28(25)32;1-35-28-14-7-11-24-25(30(34)22-9-3-2-4-10-22)21-33(29(24)28)18-8-17-32-19-15-23(16-20-32)36-27-13-6-5-12-26(27)31;1-34-26-10-4-8-23-24(28(33)21-11-12-21)20-32(27(23)26)16-6-14-30-13-5-15-31(18-17-30)19-22-7-2-3-9-25(22)29;1-32-25-9-4-6-21-22(27(31)19-10-11-19)18-30(26(21)25)15-5-14-29-16-12-20(13-17-29)33-24-8-3-2-7-23(24)28/h2-7,10-15,23H,8-9,16-22H2,1H3;2-7,9-14,21,23H,8,15-20H2,1H3;2-4,7-10,20-21H,5-6,11-19H2,1H3;2-4,6-9,18-20H,5,10-17H2,1H3
InChIKeyMUPARUSNWADAOS-UHFFFAOYSA-N
MW1966.19 g/mol
LogP23.92
Rot. Bonds36

About [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone

[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (PubChem CID 159675900) has the molecular formula C116H130Cl4N10O10 and a molecular weight of 1966.19 g/mol. Its IUPAC name is [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
PubChem CID159675900
Molecular FormulaC116H130Cl4N10O10
Molecular Weight1966.19 g/mol
Exact Mass1962.87
IUPAC Name[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone
SMILESCOc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12
InChIInChI=1S/C31H34ClN3O2.C30H31ClN2O3.C28H34ClN3O2.C27H31ClN2O3/c1-37-29-15-7-13-26-27(31(36)24-10-3-2-4-11-24)23-35(30(26)29)19-9-17-33-16-8-18-34(21-20-33)22-25-12-5-6-14-28(25)32;1-35-28-14-7-11-24-25(30(34)22-9-3-2-4-10-22)21-33(29(24)28)18-8-17-32-19-15-23(16-20-32)36-27-13-6-5-12-26(27)31;1-34-26-10-4-8-23-24(28(33)21-11-12-21)20-32(27(23)26)16-6-14-30-13-5-15-31(18-17-30)19-22-7-2-3-9-25(22)29;1-32-25-9-4-6-21-22(27(31)19-10-11-19)18-30(26(21)25)15-5-14-29-16-12-20(13-17-29)33-24-8-3-2-7-23(24)28/h2-7,10-15,23H,8-9,16-22H2,1H3;2-7,9-14,21,23H,8,15-20H2,1H3;2-4,7-10,20-21H,5-6,11-19H2,1H3;2-4,6-9,18-20H,5,10-17H2,1H3
InChIKeyMUPARUSNWADAOS-UHFFFAOYSA-N
XLogP23.92
TPSA162.82 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds36
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001966.19
LogP ≤ 523.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone with MolForge

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Related Compounds

1-[3-[3-[1-[2-[[[1-[3-[(5S)-3-[2-(3,5-dichlorophenyl)-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindole-3-carbonyl]amino]methyl]-3-bicyclo[3.1.0]hexa-1,5-dienyl]-3-(4-fluorophenoxy)propan-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxy-N-[(2-methylphenyl)methyl]indole-3-carboxamide
CID 143502685
1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide
CID 159353400
[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967637
[1-[3-[3-(2-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone
CID 58967764
1-[1-[3-[3-(2-Chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-2-phenylethanone
CID 58968501
1-[7-Chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]indol-3-yl]ethanone;1-[7-chloro-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 157205737
[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;1-[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;cyclopropyl-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]methanone;cyclopropyl-[7-methoxy-1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]methanone;1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-7-methylindol-3-yl]ethanone
CID 157239359
1-[1-[3-[4-(4-Chlorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]ethanone
CID 157321040
N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-[2-(4-fluorophenoxy)ethyl]-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)-1,4-diazepan-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;N-[(3,4-dichlorophenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]-7-propan-2-yloxyindole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(2-phenoxyethyl)piperidin-1-yl]propyl]indole-3-carboxamide;7-methoxy-N-[(3-methylphenyl)methyl]-1-[3-[4-(3-phenoxypropyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide
CID 157493977
1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[3-(2,3-dihydro-1H-inden-2-ylamino)propyl]-7-methoxy-N-[(3-methylphenyl)methyl]indole-3-carboxamide;7-methoxy-N-(2-methylpropyl)-1-[3-(3-pentyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]indole-3-carboxamide
CID 157508616
Cyclopropyl-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]methanone;[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-7-methylindol-3-yl]ethanone;cyclopropyl-[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]methanone;[7-methoxy-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-phenylmethanone;1-[7-methyl-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone
CID 157777557
1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-N-[(3-chlorophenyl)methyl]-7-methoxyindole-3-carboxamide;1-[1-[3-[4-(4-chlorophenoxy)piperidin-1-yl]propyl]-5-methoxyindol-3-yl]pentan-1-one;[7-methoxy-1-[3-[4-(2-phenoxyethyl)piperazin-1-yl]propyl]indol-3-yl]-phenylmethanone
CID 157778748

Frequently Asked Questions

What is the IUPAC name of [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The IUPAC name of [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone (CID 159675900) is [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone.
What is the SMILES notation for [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The canonical SMILES for [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)C3CC3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCC(Oc4ccccc4Cl)CC3)c12.COc1cccc2c(C(=O)c3ccccc3)cn(CCCN3CCCN(Cc4ccccc4Cl)CC3)c12.
What is the InChIKey of [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
The InChIKey is MUPARUSNWADAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34ClN3O2.C30H31ClN2O3.C28H34ClN3O2.C27H31ClN2O3/c1-37-29-15-7-13-26-27(31(36)24-10-3-2-4-11-24)23-35(30(26)29)19-9-17-33-16-8-18-34(21-20-33)22-25-12-5-6-14-28(25)32;1-35-28-14-7-11-24-25(30(34)22-9-3-2-4-10-22)21-33(29(24)28)18-8-17-32-19-15-23(16-20-32)36-27-13-6-5-12-26(27)31;1-34-26-10-4-8-23-24(28(33)21-11-12-21)20-32(27(23)26)16-6-14-30-13-5-15-31(18-17-30)19-22-7-2-3-9-25(22)29;1-32-25-9-4-6-21-22(27(31)19-10-11-19)18-30(26(21)25)15-5-14-29-16-12-20(13-17-29)33-24-8-3-2-7-23(24)28/h2-7,10-15,23H,8-9,16-22H2,1H3;2-7,9-14,21,23H,8,15-20H2,1H3;2-4,7-10,20-21H,5-6,11-19H2,1H3;2-4,6-9,18-20H,5,10-17H2,1H3.
What are the key properties of [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone?
[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone has a molecular weight of 1966.19 g/mol, XLogP of 23.92, 36 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-(2-chlorophenoxy)piperidin-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-cyclopropylmethanone;[1-[3-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]propyl]-7-methoxyindol-3-yl]-phenylmethanone is sourced from PubChem (CID 159675900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).