(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

C21H25N3O2 — CID 42592382

IUPAC(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c25-20-9-8-19(16-24(20)14-11-17-5-2-1-3-6-17)21(26)23-13-10-18-7-4-12-22-15-18/h1-7,12,15,19H,8-11,13-14,16H2,(H,23,26)/t19-/m0/s1
InChIKeyYKHGKSQKMOKTNN-IBGZPJMESA-N
MW351.45 g/mol
LogP2.22
Rot. Bonds7

About (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide

(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 42592382) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
PubChem CID42592382
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCc1cccnc1)[C@H]1CCC(=O)N(CCc2ccccc2)C1
InChIInChI=1S/C21H25N3O2/c25-20-9-8-19(16-24(20)14-11-17-5-2-1-3-6-17)21(26)23-13-10-18-7-4-12-22-15-18/h1-7,12,15,19H,8-11,13-14,16H2,(H,23,26)/t19-/m0/s1
InChIKeyYKHGKSQKMOKTNN-IBGZPJMESA-N
XLogP2.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 24818961
(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(3-pyridin-3-ylpropyl)piperidine-3-carboxamide
CID 42521558
6-oxo-1-(3-phenylpropyl)-N-(3-pyridin-3-yloxypropyl)piperidine-3-carboxamide
CID 45246000
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-[2-(pyridin-3-ylamino)ethyl]piperidine-3-carboxamide
CID 72838964
1-cycloheptyl-6-oxo-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide
CID 72877964
1-[(4-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)piperidine-3-carboxamide
CID 24793091
N-(3-indol-1-ylpropyl)-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 56701349
(3S)-6-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-1-(2-phenylethyl)piperidine-3-carboxamide
CID 136748649
1-(2-methoxyethyl)-6-oxo-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 45208370
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
1-(benzenesulfonyl)-N-(2-pyridin-3-ylethyl)piperidine-4-carboxamide
CID 31398646
N-[(5-methylthiophen-2-yl)methyl]-6-oxo-1-(2-phenylethyl)piperidine-3-carboxamide
CID 24790154

Frequently Asked Questions

What is the IUPAC name of (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide (CID 42592382) is (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is O=C(NCCc1cccnc1)[C@H]1CCC(=O)N(CCc2ccccc2)C1.
What is the InChIKey of (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is YKHGKSQKMOKTNN-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20-9-8-19(16-24(20)14-11-17-5-2-1-3-6-17)21(26)23-13-10-18-7-4-12-22-15-18/h1-7,12,15,19H,8-11,13-14,16H2,(H,23,26)/t19-/m0/s1.
What are the key properties of (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide?
(3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-oxo-1-(2-phenylethyl)-N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42592382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).