(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide

C17H21N5O2 — CID 97340797

IUPAC(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-13(23)15-4-6-16(7-5-15)20-17(24)21-8-2-3-14(9-21)10-22-12-18-11-19-22/h4-7,11-12,14H,2-3,8-10H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyZATCHPQLCOSAJH-CQSZACIVSA-N
MW327.39 g/mol
LogP2.42
Rot. Bonds4

About (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide

(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 97340797) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID97340797
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1
InChIInChI=1S/C17H21N5O2/c1-13(23)15-4-6-16(7-5-15)20-17(24)21-8-2-3-14(9-21)10-22-12-18-11-19-22/h4-7,11-12,14H,2-3,8-10H2,1H3,(H,20,24)/t14-/m1/s1
InChIKeyZATCHPQLCOSAJH-CQSZACIVSA-N
XLogP2.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356436
(2S)-2-amino-3-methyl-1-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 124604413
2-[3-[(3R)-1-[(4-acetylphenyl)carbamoyl]piperidin-3-yl]pyrazol-1-yl]acetic acid
CID 126428978
[(1S,2R)-2-aminocyclopentyl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 124699435
N-(4-acetylphenyl)-3-methylpyrrolidine-1-carboxamide
CID 61347422
1-[[(3R)-1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95121607
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329
1-[[1-[(4-methylphenyl)carbamoyl]piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 50952503
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
3-methyl-5-[3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 136522063
[2-(2,2-difluoroethyl)pyrazol-3-yl]-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 124885688
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide (CID 97340797) is (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide is CC(=O)c1ccc(NC(=O)N2CCC[C@@H](Cn3cncn3)C2)cc1.
What is the InChIKey of (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is ZATCHPQLCOSAJH-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13(23)15-4-6-16(7-5-15)20-17(24)21-8-2-3-14(9-21)10-22-12-18-11-19-22/h4-7,11-12,14H,2-3,8-10H2,1H3,(H,20,24)/t14-/m1/s1.
What are the key properties of (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide?
(3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-acetylphenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97340797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).