N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide

C88H97Cl4FN10O4S — CID 159270031

IUPACN-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C30H31Cl2N3OS.C30H31ClFN3O2.C28H35ClN4O/c31-23-9-11-25(12-10-23)37-26-13-17-34(18-14-26)15-4-16-35-21-28(27-7-1-2-8-29(27)35)30(36)33-20-22-5-3-6-24(32)19-22;31-23-6-3-5-22(19-23)20-33-30(36)28-21-35(29-8-2-1-7-27(28)29)16-4-15-34-17-13-26(14-18-34)37-25-11-9-24(32)10-12-25;29-23-8-5-7-22(19-23)20-30-28(34)26-21-33(27-10-2-1-9-25(26)27)16-6-13-31-17-11-24(12-18-31)32-14-3-4-15-32/h2*1-3,5-12,19,21,26H,4,13-18,20H2,(H,33,36);1-2,5,7-10,19,21,24H,3-4,6,11-18,20H2,(H,30,34)
InChIKeyKXOYVPFQPQXVGV-UHFFFAOYSA-N
MW1551.69 g/mol
LogP19.00
Rot. Bonds26

About N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide (PubChem CID 159270031) has the molecular formula C88H97Cl4FN10O4S and a molecular weight of 1551.69 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
PubChem CID159270031
Molecular FormulaC88H97Cl4FN10O4S
Molecular Weight1551.69 g/mol
Exact Mass1548.62
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C30H31Cl2N3OS.C30H31ClFN3O2.C28H35ClN4O/c31-23-9-11-25(12-10-23)37-26-13-17-34(18-14-26)15-4-16-35-21-28(27-7-1-2-8-29(27)35)30(36)33-20-22-5-3-6-24(32)19-22;31-23-6-3-5-22(19-23)20-33-30(36)28-21-35(29-8-2-1-7-27(28)29)16-4-15-34-17-13-26(14-18-34)37-25-11-9-24(32)10-12-25;29-23-8-5-7-22(19-23)20-30-28(34)26-21-33(27-10-2-1-9-25(26)27)16-6-13-31-17-11-24(12-18-31)32-14-3-4-15-32/h2*1-3,5-12,19,21,26H,4,13-18,20H2,(H,33,36);1-2,5,7-10,19,21,24H,3-4,6,11-18,20H2,(H,30,34)
InChIKeyKXOYVPFQPQXVGV-UHFFFAOYSA-N
XLogP19.00
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds26
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001551.69
LogP ≤ 519.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide with MolForge

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Related Compounds

N-(2-ethylhexyl)-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-(2-ethylhexyl)-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
CID 157581663
N-[(4-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide
CID 158145693
1-[3-(3-acetyl-7-methoxyindol-1-yl)propyl]-N,N-diethylpiperidine-3-carboxamide;1-[7-chloro-1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[3-[4-[2-(4-chlorophenoxy)ethyl]piperidin-1-yl]propyl]-7-methoxy-N-(2-methylpropyl)indole-3-carboxamide;1-[1-[3-[4-(4-chlorophenyl)sulfonylpiperidin-1-yl]propyl]-7-methoxyindol-3-yl]propan-1-one
CID 159187469
1-[1-[3-[3-(4-chlorophenoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;9-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]-2,3-dihydro-1H-carbazol-4-one;1-[1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-propoxypiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 159712708
N-[(2-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(2-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(2-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide
CID 160052581
3-tert-butyl-5-fluoro-1H-indole;5-chloro-3-ethyl-2-methyl-1H-indole;5,6-dichloro-3-ethyl-1H-indole;5,6-dichloro-3-ethyl-2-methyl-1H-indole;1-ethoxy-4-fluorobenzene;3-ethyl-5,7-difluoro-1H-indole;3-ethyl-5-fluoro-1-methylindole;3-ethyl-5-fluoro-2-methyl-1H-indole;1-ethylsulfanyl-4-fluorobenzene;1-(5-fluoro-1H-indol-3-yl)ethanone;N-(1-phenylpropyl)prop-2-enamide;1,2,3-trifluoro-5-propylbenzene
CID 160312515
1-[1-[3-[4-(2-Chlorophenoxy)piperidin-1-yl]-2-hydroxypropyl]indol-3-yl]ethanone;1-[1-[3-[4-(2,4-difluorobenzoyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methylsulfanylphenyl)piperazin-1-yl]propyl]indol-3-yl]ethanone
CID 161549986
1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-N-[(3-methylphenyl)methyl]indole-3-carboxamide;1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]-N-(2-methylpropyl)indole-3-carboxamide
CID 161618059

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide (CID 159270031) is N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide is O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.O=C(NCc1cccc(Cl)c1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
The InChIKey is KXOYVPFQPQXVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N3OS.C30H31ClFN3O2.C28H35ClN4O/c31-23-9-11-25(12-10-23)37-26-13-17-34(18-14-26)15-4-16-35-21-28(27-7-1-2-8-29(27)35)30(36)33-20-22-5-3-6-24(32)19-22;31-23-6-3-5-22(19-23)20-33-30(36)28-21-35(29-8-2-1-7-27(28)29)16-4-15-34-17-13-26(14-18-34)37-25-11-9-24(32)10-12-25;29-23-8-5-7-22(19-23)20-30-28(34)26-21-33(27-10-2-1-9-25(26)27)16-6-13-31-17-11-24(12-18-31)32-14-3-4-15-32/h2*1-3,5-12,19,21,26H,4,13-18,20H2,(H,33,36);1-2,5,7-10,19,21,24H,3-4,6,11-18,20H2,(H,30,34).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide has a molecular weight of 1551.69 g/mol, XLogP of 19.00, 26 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-chlorophenyl)sulfanylpiperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indole-3-carboxamide;N-[(3-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide is sourced from PubChem (CID 159270031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).