(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide

C23H24ClN3O2 — CID 40899994

IUPAC(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H24ClN3O2/c24-20-9-3-1-6-16(20)13-26-23(29)17-7-5-11-27(15-17)22(28)12-18-14-25-21-10-4-2-8-19(18)21/h1-4,6,8-10,14,17,25H,5,7,11-13,15H2,(H,26,29)/t17-/m0/s1
InChIKeyUSDWJODYISXKIO-KRWDZBQOSA-N
MW409.92 g/mol
LogP3.92
Rot. Bonds5

About (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide

(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide (PubChem CID 40899994) has the molecular formula C23H24ClN3O2 and a molecular weight of 409.92 g/mol. Its IUPAC name is (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
PubChem CID40899994
Molecular FormulaC23H24ClN3O2
Molecular Weight409.92 g/mol
Exact Mass409.16
IUPAC Name(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
SMILESO=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C23H24ClN3O2/c24-20-9-3-1-6-16(20)13-26-23(29)17-7-5-11-27(15-17)22(28)12-18-14-25-21-10-4-2-8-19(18)21/h1-4,6,8-10,14,17,25H,5,7,11-13,15H2,(H,26,29)/t17-/m0/s1
InChIKeyUSDWJODYISXKIO-KRWDZBQOSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
1-(3-benzoylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 110394484
(3S)-1-[2-(1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 41111619
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
N-[(4-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50804112
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
N-[(3-chlorophenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 50803992
N-(2,5-dimethoxyphenyl)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 42649593
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734
(3S)-3-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 40972160
(3S)-N-(3-chlorophenyl)-1-[3-(1H-indol-3-yl)propanoyl]piperidine-3-carboxamide
CID 41130807

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide (CID 40899994) is (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide is O=C(NCc1ccccc1Cl)[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is USDWJODYISXKIO-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClN3O2/c24-20-9-3-1-6-16(20)13-26-23(29)17-7-5-11-27(15-17)22(28)12-18-14-25-21-10-4-2-8-19(18)21/h1-4,6,8-10,14,17,25H,5,7,11-13,15H2,(H,26,29)/t17-/m0/s1.
What are the key properties of (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide?
(3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 409.92 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2-chlorophenyl)methyl]-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 40899994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).