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

C17H23N5O — CID 51092911

IUPAC1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23N5O/c1-21-13-19-20-16(21)10-18-17(23)15-8-5-9-22(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)
InChIKeyPZZMUMZKFXKIAV-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.34
Rot. Bonds5

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

1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 51092911) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID51092911
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide
SMILESCn1cnnc1CNC(=O)C1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C17H23N5O/c1-21-13-19-20-16(21)10-18-17(23)15-8-5-9-22(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23)
InChIKeyPZZMUMZKFXKIAV-UHFFFAOYSA-N
XLogP1.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
(3S)-1-methyl-N-[[4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]piperidine-3-carboxamide
CID 124679845
4-[[[(3R)-1-benzylpiperidine-3-carbonyl]amino]methyl]benzoic acid
CID 124703905
(3R)-1-benzyl-N-propan-2-ylpiperidine-3-carboxamide
CID 93490052
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
1-benzyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917296
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-1-benzyl-N-prop-2-enylpiperidine-3-carboxamide
CID 93490114
1-benzyl-N-(2-hydroxyphenyl)piperidine-3-carboxamide
CID 60563080
N-[(2S)-1-aminopropan-2-yl]-1-benzylpiperidine-3-carboxamide;dihydrochloride
CID 120507626
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide (CID 51092911) is 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is Cn1cnnc1CNC(=O)C1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is PZZMUMZKFXKIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-13-19-20-16(21)10-18-17(23)15-8-5-9-22(12-15)11-14-6-3-2-4-7-14/h2-4,6-7,13,15H,5,8-12H2,1H3,(H,18,23).
What are the key properties of 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide?
1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 51092911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).