(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

C15H19N5O — CID 97346259

IUPAC(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C15H19N5O/c21-15(16-10-12-6-2-1-3-7-12)20-9-5-4-8-13(20)14-17-11-18-19-14/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,21)(H,17,18,19)/t13-/m1/s1
InChIKeyJNCATWVOIQOXQT-CYBMUJFWSA-N
MW285.35 g/mol
LogP2.24
Rot. Bonds3

About (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide

(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (PubChem CID 97346259) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
PubChem CID97346259
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCCC[C@@H]1c1ncn[nH]1
InChIInChI=1S/C15H19N5O/c21-15(16-10-12-6-2-1-3-7-12)20-9-5-4-8-13(20)14-17-11-18-19-14/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,21)(H,17,18,19)/t13-/m1/s1
InChIKeyJNCATWVOIQOXQT-CYBMUJFWSA-N
XLogP2.24
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 138033852
(2S)-N-(1-phenylpyrazol-3-yl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97347741
(2S)-N-benzyl-2-(2-chlorophenyl)azepane-1-carboxamide
CID 93076759
N-(4-methylphenyl)-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 75397898
[3-(hydroxymethyl)phenyl]-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 129351286
2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
CID 141039818
(2R)-N-benzyl-2-thiophen-2-ylazepane-1-carboxamide
CID 92503180
N-benzyl-2-(1H-pyrrol-2-yl)pyrrolidine-1-carboxamide
CID 47256655
1H-pyrrol-2-yl-[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methanone
CID 97332578
(2S)-N-benzyl-2-(1-methylbenzimidazol-2-yl)piperidine-1-carboxamide
CID 51966220
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 97254701
2-(benzotriazol-1-yl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 154799821

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide (CID 97346259) is (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCCC[C@@H]1c1ncn[nH]1.
What is the InChIKey of (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
The InChIKey is JNCATWVOIQOXQT-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c21-15(16-10-12-6-2-1-3-7-12)20-9-5-4-8-13(20)14-17-11-18-19-14/h1-3,6-7,11,13H,4-5,8-10H2,(H,16,21)(H,17,18,19)/t13-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide?
(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97346259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).