1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole

C47H55Cl3FN7O5S — CID 157304330

IUPAC1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.O=C(CCF)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1)C1(O)CC1
InChIInChI=1S/C17H19ClN2O2.C16H18ClFN2O.C14H18ClN3O2S/c18-12-9-14(13-1-6-19-15(13)10-12)11-2-7-20(8-3-11)16(21)17(22)4-5-17;17-12-9-14(13-2-6-19-15(13)10-12)11-3-7-20(8-4-11)16(21)1-5-18;1-10-9-17(21(2,19)20)5-6-18(10)14-8-11(15)7-13-12(14)3-4-16-13/h1,6,9-11,19,22H,2-5,7-8H2;2,6,9-11,19H,1,3-5,7-8H2;3-4,7-8,10,16H,5-6,9H2,1-2H3/t;;10-/m..1/s1
InChIKeyBCGSQXIREOAHEQ-RIOBYUHVSA-N
MW955.42 g/mol
LogP9.23
Rot. Bonds7

About 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole

1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole (PubChem CID 157304330) has the molecular formula C47H55Cl3FN7O5S and a molecular weight of 955.42 g/mol. Its IUPAC name is 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole.

Molecular Properties

Compound Name1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
PubChem CID157304330
Molecular FormulaC47H55Cl3FN7O5S
Molecular Weight955.42 g/mol
Exact Mass953.30
IUPAC Name1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole
SMILESC[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.O=C(CCF)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1)C1(O)CC1
InChIInChI=1S/C17H19ClN2O2.C16H18ClFN2O.C14H18ClN3O2S/c18-12-9-14(13-1-6-19-15(13)10-12)11-2-7-20(8-3-11)16(21)17(22)4-5-17;17-12-9-14(13-2-6-19-15(13)10-12)11-3-7-20(8-4-11)16(21)1-5-18;1-10-9-17(21(2,19)20)5-6-18(10)14-8-11(15)7-13-12(14)3-4-16-13/h1,6,9-11,19,22H,2-5,7-8H2;2,6,9-11,19H,1,3-5,7-8H2;3-4,7-8,10,16H,5-6,9H2,1-2H3/t;;10-/m..1/s1
InChIKeyBCGSQXIREOAHEQ-RIOBYUHVSA-N
XLogP9.23
TPSA148.84 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.42
LogP ≤ 59.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole with MolForge

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Related Compounds

6-chloro-4-[(3S,5R)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxypropan-1-one;6-chloro-3-methyl-4-(4-methylsulfonylpiperazin-1-yl)-2H-indazole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159576939
6-chloro-4-[4-(2-methylsulfonylethyl)piperidin-1-yl]-1H-indole;6-cyclopropyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;4-(1-methylsulfonylpiperidin-4-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 159992631
6-chloro-4-[(3R,5S)-3,5-dimethyl-4-methylsulfonylpiperazin-1-yl]-1H-indole;4-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-1-carboxamide;6-cyclopentyl-4-(4-methylsulfonylpiperazin-1-yl)-1H-indole;1-[2,2-dimethyl-4-[6-(trifluoromethyl)-1H-indol-4-yl]piperidin-1-yl]ethanone
CID 160141447
4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indole;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-fluoro-2-methylpropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 157055211
1-[4-(6-bromo-1H-indol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-hydroxyethanone;N-[[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide;6-cyclopropyl-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1H-indole
CID 157172602
1-(6-chloro-1H-indol-4-yl)-N,N-dimethylpiperidine-4-carboxamide;1-(6-chloro-1H-indol-4-yl)piperidine-4-carboxamide;4-(1-methylsulfonylpiperidin-4-yl)-6-propan-2-yl-1H-indole;1-[4-(6-propan-2-yl-1H-indol-4-yl)piperidin-1-yl]ethanone
CID 157214604
[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-cyclopropylmethanone;6-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1H-indole;4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-6-ethyl-1H-indole
CID 157612843
6-chloro-4-(3,3-dimethyl-4-methylsulfonylpiperazin-1-yl)-1-methylindole;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-2-methylpropan-1-one;1-[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]propan-1-one
CID 157644215
[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-cyclopropylmethanone;1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-2-methylpropan-1-one;6-chloro-4-(3,3,4-trimethylpiperazin-1-yl)-1H-indole
CID 157901846
4-(1-benzylsulfonylpiperidin-4-yl)-6-chloro-1H-indole;4-(6-chloro-1H-indol-4-yl)-N-methylpiperazine-1-sulfonamide;[4-(6-chloro-1H-indol-4-yl)piperazin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-N-methylmethanesulfonamide
CID 157919911
6-chloro-4-cyclohexyl-1H-indole;1-[8-(6-chloro-1H-indol-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]ethanone;1-[9-(6-chloro-1H-indol-4-yl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone;7-(6-chloro-1H-indol-4-yl)-2-methylsulfonyl-2,7-diazaspiro[3.5]nonane
CID 157919997
1-[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indazol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;N-[1-(6-chloro-1H-indazol-4-yl)pyrrolidin-3-yl]acetamide;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indazole
CID 158098099

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole?
The IUPAC name of 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole (CID 157304330) is 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole.
What is the SMILES notation for 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole?
The canonical SMILES for 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole is C[C@@H]1CN(S(C)(=O)=O)CCN1c1cc(Cl)cc2[nH]ccc12.O=C(CCF)N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1.O=C(N1CCC(c2cc(Cl)cc3[nH]ccc23)CC1)C1(O)CC1.
What is the InChIKey of 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole?
The InChIKey is BCGSQXIREOAHEQ-RIOBYUHVSA-N. The full InChI is InChI=1S/C17H19ClN2O2.C16H18ClFN2O.C14H18ClN3O2S/c18-12-9-14(13-1-6-19-15(13)10-12)11-2-7-20(8-3-11)16(21)17(22)4-5-17;17-12-9-14(13-2-6-19-15(13)10-12)11-3-7-20(8-4-11)16(21)1-5-18;1-10-9-17(21(2,19)20)5-6-18(10)14-8-11(15)7-13-12(14)3-4-16-13/h1,6,9-11,19,22H,2-5,7-8H2;2,6,9-11,19H,1,3-5,7-8H2;3-4,7-8,10,16H,5-6,9H2,1-2H3/t;;10-/m..1/s1.
What are the key properties of 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole?
1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole has a molecular weight of 955.42 g/mol, XLogP of 9.23, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-3-fluoropropan-1-one;[4-(6-chloro-1H-indol-4-yl)piperidin-1-yl]-(1-hydroxycyclopropyl)methanone;6-chloro-4-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-1H-indole is sourced from PubChem (CID 157304330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).