N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C20H24ClN5O2 — CID 119709353

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc2ccccc2c1CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C20H23N5O2.ClH/c1-27-19-7-6-14-4-2-3-5-16(14)17(19)12-22-20(26)18-13-25(24-23-18)15-8-10-21-11-9-15;/h2-7,13,15,21H,8-12H2,1H3,(H,22,26);1H
InChIKeyHNWLSGDAKHEZGW-UHFFFAOYSA-N
MW401.90 g/mol
LogP2.72
Rot. Bonds5

About N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119709353) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119709353
Molecular FormulaC20H24ClN5O2
Molecular Weight401.90 g/mol
Exact Mass401.16
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCOc1ccc2ccccc2c1CNC(=O)c1cn(C2CCNCC2)nn1.Cl
InChIInChI=1S/C20H23N5O2.ClH/c1-27-19-7-6-14-4-2-3-5-16(14)17(19)12-22-20(26)18-13-25(24-23-18)15-8-10-21-11-9-15;/h2-7,13,15,21H,8-12H2,1H3,(H,22,26);1H
InChIKeyHNWLSGDAKHEZGW-UHFFFAOYSA-N
XLogP2.72
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.90
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-piperidin-4-yl-N-[(2,4,6-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119733849
1-piperidin-4-yl-N-[(2,4,5-trimethoxyphenyl)methyl]triazole-4-carboxamide;hydrochloride
CID 119690612
N-[(2,4-dimethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119705244
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119691738
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(oxolan-2-ylmethyl)triazole-4-carboxamide
CID 45207828
N-(cyclobutylmethyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119724139
ethyl 4-[[(1-piperidin-4-yltriazole-4-carbonyl)amino]methyl]benzoate;hydrochloride
CID 119746496
N-[(3-ethoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119714461
N-[[2-(difluoromethoxy)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119700358
N-[(3-phenoxyphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119732509

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119709353) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is COc1ccc2ccccc2c1CNC(=O)c1cn(C2CCNCC2)nn1.Cl.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is HNWLSGDAKHEZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2.ClH/c1-27-19-7-6-14-4-2-3-5-16(14)17(19)12-22-20(26)18-13-25(24-23-18)15-8-10-21-11-9-15;/h2-7,13,15,21H,8-12H2,1H3,(H,22,26);1H.
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 401.90 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119709353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).