1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide

C24H28ClN3O — CID 20801083

IUPAC1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O/c1-17(2)27-13-11-18(12-14-27)16-26-24(29)23-15-19-5-3-4-6-22(19)28(23)21-9-7-20(25)8-10-21/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyBMVBLMSWLAVTJF-UHFFFAOYSA-N
MW409.96 g/mol
LogP5.13
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide

1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide (PubChem CID 20801083) has the molecular formula C24H28ClN3O and a molecular weight of 409.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
PubChem CID20801083
Molecular FormulaC24H28ClN3O
Molecular Weight409.96 g/mol
Exact Mass409.19
IUPAC Name1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
SMILESCC(C)N1CCC(CNC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1
InChIInChI=1S/C24H28ClN3O/c1-17(2)27-13-11-18(12-14-27)16-26-24(29)23-15-19-5-3-4-6-22(19)28(23)21-9-7-20(25)8-10-21/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,26,29)
InChIKeyBMVBLMSWLAVTJF-UHFFFAOYSA-N
XLogP5.13
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.96
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801223
1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
CID 172769945
1-[(2-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801026
N'-[(4-chlorophenyl)methyl]-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886576
1-benzyl-N-[(1-methylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 86877683
N-(cyclohexylmethyl)-1-(4-propoxyphenyl)indole-2-carboxamide;2-methylpyrrolidine
CID 143447137
N-[[(3R)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-1-ethylindole-2-carboxamide
CID 95586466
1-[(3,5-dichlorophenyl)methyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 20801035
4-methoxy-N-[(1-propan-2-ylpiperidin-4-yl)methyl]benzamide
CID 16895405
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583
[1-(4-methoxyphenyl)indol-2-yl] N-(1-propan-2-ylpiperidin-4-yl)carbamate
CID 90309578

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide (CID 20801083) is 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide is CC(C)N1CCC(CNC(=O)c2cc3ccccc3n2-c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
The InChIKey is BMVBLMSWLAVTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O/c1-17(2)27-13-11-18(12-14-27)16-26-24(29)23-15-19-5-3-4-6-22(19)28(23)21-9-7-20(25)8-10-21/h3-10,15,17-18H,11-14,16H2,1-2H3,(H,26,29).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide?
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide has a molecular weight of 409.96 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide is sourced from PubChem (CID 20801083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).