(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide

C16H19N5O2 — CID 94174663

IUPAC(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H19N5O2/c1-17-15(22)14-9-5-6-10-20(14)16(23)13-11-18-21(19-13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyVCKNRPZRDJLYFR-CQSZACIVSA-N
MW313.36 g/mol
LogP1.01
Rot. Bonds3

About (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide

(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide (PubChem CID 94174663) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
PubChem CID94174663
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide
SMILESCNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H19N5O2/c1-17-15(22)14-9-5-6-10-20(14)16(23)13-11-18-21(19-13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,17,22)/t14-/m1/s1
InChIKeyVCKNRPZRDJLYFR-CQSZACIVSA-N
XLogP1.01
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2-phenyltriazol-4-yl)methanone;hydrochloride
CID 119597279
[(2R)-2-[(S)-hydroxy-(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 97063463
1-(2-phenyltriazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 63006198
1-(5-bromopyridine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 62953067
(4-methyl-2-phenylpiperazin-1-yl)-(2-phenyltriazol-4-yl)methanone
CID 51266707
1-(6-fluoropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 63978579
1-(2-chloropyridine-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 61052177
1-(4-amino-1-methylpyrazole-5-carbonyl)-N-methylpiperidine-2-carboxamide
CID 65359724
1-(1H-indazole-3-carbonyl)-N-methylpiperidine-2-carboxamide
CID 60966842
[3-(1-methylpyrazol-3-yl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 119103853
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
1-(1-phenylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 119175836

Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide (CID 94174663) is (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide is CNC(=O)[C@H]1CCCCN1C(=O)c1cnn(-c2ccccc2)n1.
What is the InChIKey of (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
The InChIKey is VCKNRPZRDJLYFR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-17-15(22)14-9-5-6-10-20(14)16(23)13-11-18-21(19-13)12-7-3-2-4-8-12/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,17,22)/t14-/m1/s1.
What are the key properties of (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide?
(2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-(2-phenyltriazole-4-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 94174663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).