(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide

C23H24ClN3O2 — CID 41130807

IUPAC(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H24ClN3O2/c24-18-6-3-7-19(13-18)26-23(29)17-5-4-12-27(15-17)22(28)11-10-16-14-25-21-9-2-1-8-20(16)21/h1-3,6-9,13-14,17,25H,4-5,10-12,15H2,(H,26,29)/t17-/m0/s1
InChIKeyWUNXLZBOURJTNX-KRWDZBQOSA-N
MW409.92 g/mol
LogP4.63
Rot. Bonds5

About (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide

(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide (PubChem CID 41130807) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
PubChem CID41130807
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H24ClN3O2/c24-18-6-3-7-19(13-18)26-23(29)17-5-4-12-27(15-17)22(28)11-10-16-14-25-21-9-2-1-8-20(16)21/h1-3,6-9,13-14,17,25H,4-5,10-12,15H2,(H,26,29)/t17-/m0/s1
InChIKeyWUNXLZBOURJTNX-KRWDZBQOSA-N
XLogP4.63
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.92
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-(3-acetylphenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41118360
(3R)-N-(2-fluorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41111390
N-(3-chlorophenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 113007151
(3R)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816516
(3S)-1-[3-(1H-indol-3-yl)propanoyl]-N-[(2R)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 40816519
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 40899994
3-(1H-indol-3-yl)-1-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 41037215
N-(3-chlorophenyl)-4-(1H-indol-3-yl)butanamide
CID 7900117
N-[[1-[3-(1H-indol-3-yl)propanoyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55663280

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide (CID 41130807) is (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
The InChIKey is WUNXLZBOURJTNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-18-6-3-7-19(13-18)26-23(29)17-5-4-12-27(15-17)22(28)11-10-16-14-25-21-9-2-1-8-20(16)21/h1-3,6-9,13-14,17,25H,4-5,10-12,15H2,(H,26,29)/t17-/m0/s1.
What are the key properties of (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide?
(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 41130807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).