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

C90H93Cl4FN12O4S — CID 158145693

IUPACN-[(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
SMILESN#Cc1cccnc1N1CCCN(CCCn2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc32)CC1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C30H31Cl2N3OS.C30H31ClFN3O2.C30H31ClN6O/c2*31-23-8-6-22(7-9-23)20-33-30(36)28-21-35(29-5-2-1-4-27(28)29)17-3-16-34-18-14-26(15-19-34)37-25-12-10-24(32)11-13-25;31-25-11-9-23(10-12-25)21-34-30(38)27-22-37(28-8-2-1-7-26(27)28)17-5-15-35-14-4-16-36(19-18-35)29-24(20-32)6-3-13-33-29/h2*1-2,4-13,21,26H,3,14-20H2,(H,33,36);1-3,6-13,22H,4-5,14-19,21H2,(H,34,38)
InChIKeyFUMIYAMTXYRHMK-UHFFFAOYSA-N
MW1599.69 g/mol
LogP18.92
Rot. Bonds26

About 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

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 (PubChem CID 158145693) has the molecular formula C90H93Cl4FN12O4S and a molecular weight of 1599.69 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID158145693
Molecular FormulaC90H93Cl4FN12O4S
Molecular Weight1599.69 g/mol
Exact Mass1596.59
IUPAC NameN-[(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
SMILESN#Cc1cccnc1N1CCCN(CCCn2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc32)CC1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12
InChIInChI=1S/C30H31Cl2N3OS.C30H31ClFN3O2.C30H31ClN6O/c2*31-23-8-6-22(7-9-23)20-33-30(36)28-21-35(29-5-2-1-4-27(28)29)17-3-16-34-18-14-26(15-19-34)37-25-12-10-24(32)11-13-25;31-25-11-9-23(10-12-25)21-34-30(38)27-22-37(28-8-2-1-7-26(27)28)17-5-15-35-14-4-16-36(19-18-35)29-24(20-32)6-3-13-33-29/h2*1-2,4-13,21,26H,3,14-20H2,(H,33,36);1-3,6-13,22H,4-5,14-19,21H2,(H,34,38)
InChIKeyFUMIYAMTXYRHMK-UHFFFAOYSA-N
XLogP18.92
TPSA160.96 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds26
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001599.69
LogP ≤ 518.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cccnc1N1CCCN(CCCn2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc32)CC1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(Sc3ccc(Cl)cc3)CC2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is FUMIYAMTXYRHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N3OS.C30H31ClFN3O2.C30H31ClN6O/c2*31-23-8-6-22(7-9-23)20-33-30(36)28-21-35(29-5-2-1-4-27(28)29)17-3-16-34-18-14-26(15-19-34)37-25-12-10-24(32)11-13-25;31-25-11-9-23(10-12-25)21-34-30(38)27-22-37(28-8-2-1-7-26(27)28)17-5-15-35-14-4-16-36(19-18-35)29-24(20-32)6-3-13-33-29/h2*1-2,4-13,21,26H,3,14-20H2,(H,33,36);1-3,6-13,22H,4-5,14-19,21H2,(H,34,38).
What are the key properties of 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?
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 has a molecular weight of 1599.69 g/mol, XLogP of 18.92, 26 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158145693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).