1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide

C16H21N5O — CID 75515885

IUPAC1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide
SMILESCn1ncnc1NC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H21N5O/c1-20-16(17-12-18-20)19-15(22)14-9-5-6-10-21(14)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18,19,22)
InChIKeyKVMBNNMQDGSUKM-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.81
Rot. Bonds4

About 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide

1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide (PubChem CID 75515885) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide
PubChem CID75515885
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide
SMILESCn1ncnc1NC(=O)C1CCCCN1Cc1ccccc1
InChIInChI=1S/C16H21N5O/c1-20-16(17-12-18-20)19-15(22)14-9-5-6-10-21(14)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18,19,22)
InChIKeyKVMBNNMQDGSUKM-UHFFFAOYSA-N
XLogP1.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-(1H-1,2,4-triazol-5-yl)pyrrolidine-2-carboxamide
CID 47390330
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
(2S)-1-benzyl-N-[(1S)-1-cyanoethyl]piperidine-2-carboxamide
CID 124607982
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
(2S)-1-benzyl-N-(thian-4-yl)piperidine-2-carboxamide
CID 97215907
1-benzyl-N-pyrrolidin-3-ylpiperidine-2-carboxamide
CID 119453078
1-benzyl-N-piperidin-3-ylpiperidine-2-carboxamide;dihydrochloride
CID 119427951
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide (CID 75515885) is 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide is Cn1ncnc1NC(=O)C1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide?
The InChIKey is KVMBNNMQDGSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-20-16(17-12-18-20)19-15(22)14-9-5-6-10-21(14)11-13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H,17,18,19,22).
What are the key properties of 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide?
1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-1,2,4-triazol-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 75515885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).