(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C24H30N4O2 — CID 30876883

IUPAC(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)[C@H]1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C24H30N4O2/c29-23-10-9-19(18-28(23)17-11-20-6-4-5-14-25-20)24(30)26-21-12-15-27(16-13-21)22-7-2-1-3-8-22/h1-8,14,19,21H,9-13,15-18H2,(H,26,30)/t19-/m0/s1
InChIKeyGCKLXVJIRUIZSZ-IBGZPJMESA-N
MW406.53 g/mol
LogP2.65
Rot. Bonds6

About (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 30876883) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID30876883
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESO=C(NC1CCN(c2ccccc2)CC1)[C@H]1CCC(=O)N(CCc2ccccn2)C1
InChIInChI=1S/C24H30N4O2/c29-23-10-9-19(18-28(23)17-11-20-6-4-5-14-25-20)24(30)26-21-12-15-27(16-13-21)22-7-2-1-3-8-22/h1-8,14,19,21H,9-13,15-18H2,(H,26,30)/t19-/m0/s1
InChIKeyGCKLXVJIRUIZSZ-IBGZPJMESA-N
XLogP2.65
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
(5R)-1-(2-pyridin-2-ylethyl)-5-(thiomorpholine-4-carbonyl)piperidin-2-one
CID 26405057
(3S)-N-cyclopropyl-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97114789
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 45247271
(3R)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 29256977
(3S)-N-(oxan-4-yl)-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
CID 97149069
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640
N-(3-indazol-1-ylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 45171237
(3R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97128790
1-phenyl-N-(2-pyridin-2-ylethyl)piperidin-4-amine
CID 103775425

Frequently Asked Questions

What is the IUPAC name of (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 30876883) is (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is O=C(NC1CCN(c2ccccc2)CC1)[C@H]1CCC(=O)N(CCc2ccccn2)C1.
What is the InChIKey of (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is GCKLXVJIRUIZSZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N4O2/c29-23-10-9-19(18-28(23)17-11-20-6-4-5-14-25-20)24(30)26-21-12-15-27(16-13-21)22-7-2-1-3-8-22/h1-8,14,19,21H,9-13,15-18H2,(H,26,30)/t19-/m0/s1.
What are the key properties of (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-oxo-N-(1-phenylpiperidin-4-yl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 30876883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).