N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

C16H21N5O — CID 119709513

IUPACN-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C16H21N5O/c1-12-3-2-4-13(9-12)10-18-16(22)15-11-21(20-19-15)14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,22)
InChIKeyZSDRHWPPMCZUCK-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.44
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119709513) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119709513
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1
InChIInChI=1S/C16H21N5O/c1-12-3-2-4-13(9-12)10-18-16(22)15-11-21(20-19-15)14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,22)
InChIKeyZSDRHWPPMCZUCK-UHFFFAOYSA-N
XLogP1.44
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
1-methyl-N-[(3-methylphenyl)methyl]triazole-4-carboxamide
CID 110691577
N-[2-(3-methylphenyl)propan-2-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119795627
N-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284437
N-[2-(3-chlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119688217
1-piperidin-4-yl-N-[(4-pyrazol-1-ylphenyl)methyl]triazole-4-carboxamide
CID 119725267
N-(imidazo[1,2-a]pyridin-7-ylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119889495
N-[[2-(cyclopropylmethoxy)-4-methylphenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119811417
N-(2-methoxyethyl)-1-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]triazole-4-carboxamide
CID 29258547

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119709513) is N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is Cc1cccc(CNC(=O)c2cn(C3CCNCC3)nn2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is ZSDRHWPPMCZUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-3-2-4-13(9-12)10-18-16(22)15-11-21(20-19-15)14-5-7-17-8-6-14/h2-4,9,11,14,17H,5-8,10H2,1H3,(H,18,22).
What are the key properties of N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119709513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).