(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide

C19H21N3O2 — CID 51937770

IUPAC(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c23-18(12-15-6-2-1-3-7-15)22-11-5-8-16(14-22)19(24)21-17-9-4-10-20-13-17/h1-4,6-7,9-10,13,16H,5,8,11-12,14H2,(H,21,24)/t16-/m0/s1
InChIKeyWPSIPRGPRJACLQ-INIZCTEOSA-N
MW323.40 g/mol
LogP2.50
Rot. Bonds4

About (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide

(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide (PubChem CID 51937770) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
PubChem CID51937770
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide
SMILESO=C(Nc1cccnc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C19H21N3O2/c23-18(12-15-6-2-1-3-7-15)22-11-5-8-16(14-22)19(24)21-17-9-4-10-20-13-17/h1-4,6-7,9-10,13,16H,5,8,11-12,14H2,(H,21,24)/t16-/m0/s1
InChIKeyWPSIPRGPRJACLQ-INIZCTEOSA-N
XLogP2.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylacetyl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 55604563
N-(4-methylsulfanylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607476
(3S)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 96521978
(3S)-N-methyl-1-(2-phenylacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 51939813
N-(3-bromo-4-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608650
1-[3-[[1-(2-phenylacetyl)piperidine-3-carbonyl]amino]phenyl]pyrazole-3-carboxylic acid
CID 167986303
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46481378
(3S)-1-(2-phenylacetyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94098690
N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 86843484
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55608361
1-(2-phenylacetyl)-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 55605706
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide (CID 51937770) is (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide is O=C(Nc1cccnc1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1.
What is the InChIKey of (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
The InChIKey is WPSIPRGPRJACLQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(12-15-6-2-1-3-7-15)22-11-5-8-16(14-22)19(24)21-17-9-4-10-20-13-17/h1-4,6-7,9-10,13,16H,5,8,11-12,14H2,(H,21,24)/t16-/m0/s1.
What are the key properties of (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide?
(3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-phenylacetyl)-N-pyridin-3-ylpiperidine-3-carboxamide is sourced from PubChem (CID 51937770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).