1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide

C18H19N3O2 — CID 56826411

IUPAC1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H19N3O2/c22-17(20-15-9-11-19-12-10-15)16-8-4-5-13-21(16)18(23)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8,13H2,(H,19,20,22)
InChIKeyFBYIYNYYFIJHHJ-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.71
Rot. Bonds3

About 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide

1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide (PubChem CID 56826411) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
PubChem CID56826411
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide
SMILESO=C(Nc1ccncc1)C1CCCCN1C(=O)c1ccccc1
InChIInChI=1S/C18H19N3O2/c22-17(20-15-9-11-19-12-10-15)16-8-4-5-13-21(16)18(23)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8,13H2,(H,19,20,22)
InChIKeyFBYIYNYYFIJHHJ-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzoyl-N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 138995698
(2R)-1-benzoyl-N-(4-tert-butylphenyl)piperidine-2-carboxamide
CID 25473012
(2R)-N-[4-(2-fluorophenoxy)phenyl]-1-(pyridine-4-carbonyl)piperidine-2-carboxamide
CID 42096212
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
(2S)-1-benzoyl-N-(4-ethylphenyl)pyrrolidine-2-carboxamide
CID 92668243
1-(4-benzamidobenzoyl)piperidine-2-carboxylic acid
CID 119175893
1-benzoyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 112845834
(2S)-1-benzoyl-N-(4-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 92668241
1-benzoyl-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]piperidine-2-carboxamide
CID 131929739
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2R)-N-[4-(phenylcarbamoylamino)phenyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 32953422
1-benzoyl-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]pyrrolidine-2-carboxamide
CID 136577370

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide?
The IUPAC name of 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide (CID 56826411) is 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide.
What is the SMILES notation for 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide?
The canonical SMILES for 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide is O=C(Nc1ccncc1)C1CCCCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide?
The InChIKey is FBYIYNYYFIJHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-17(20-15-9-11-19-12-10-15)16-8-4-5-13-21(16)18(23)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8,13H2,(H,19,20,22).
What are the key properties of 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide?
1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-pyridin-4-ylpiperidine-2-carboxamide is sourced from PubChem (CID 56826411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).