1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide

C19H21N3O2 — CID 75460001

IUPAC1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccn2)(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c1-15(23)22-13-10-19(11-14-22,16-7-3-2-4-8-16)18(24)21-17-9-5-6-12-20-17/h2-9,12H,10-11,13-14H2,1H3,(H,20,21,24)
InChIKeyTXMYOMUHQRDQLW-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.60
Rot. Bonds3

About 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide

1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide (PubChem CID 75460001) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
PubChem CID75460001
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)Nc2ccccn2)(c2ccccc2)CC1
InChIInChI=1S/C19H21N3O2/c1-15(23)22-13-10-19(11-14-22,16-7-3-2-4-8-16)18(24)21-17-9-5-6-12-20-17/h2-9,12H,10-11,13-14H2,1H3,(H,20,21,24)
InChIKeyTXMYOMUHQRDQLW-UHFFFAOYSA-N
XLogP2.60
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-pyridin-2-ylpiperazine-1-carboxamide
CID 47267011
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
1-acetyl-4-phenyl-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 39888148
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
1-acetyl-N-methyl-N-[2-[(4-methyl-2-pyridinyl)amino]-2-oxoethyl]-4-phenylpiperidine-4-carboxamide
CID 56523205
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)-4-phenylpiperidine-4-carboxamide
CID 9141961
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 91229001
1-(pyridin-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095693
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
1-acetyl-N-[(2R)-1-amino-1-oxopropan-2-yl]-4-phenylpiperidine-4-carboxamide
CID 97310746
1-acetyl-N-butyl-4-phenylpiperidine-4-carboxamide
CID 39889707

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide (CID 75460001) is 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide is CC(=O)N1CCC(C(=O)Nc2ccccn2)(c2ccccc2)CC1.
What is the InChIKey of 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide?
The InChIKey is TXMYOMUHQRDQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-15(23)22-13-10-19(11-14-22,16-7-3-2-4-8-16)18(24)21-17-9-5-6-12-20-17/h2-9,12H,10-11,13-14H2,1H3,(H,20,21,24).
What are the key properties of 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide?
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75460001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).