N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H26ClN5O — CID 119770249

IUPACN-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)c2cn(C3CCNCC3)nn2)CC1.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-14-4-2-3-5-16(14)19(8-9-19)13-21-18(25)17-12-24(23-22-17)15-6-10-20-11-7-15;/h2-5,12,15,20H,6-11,13H2,1H3,(H,21,25);1H
InChIKeyVJHARVVABYWFFI-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.39
Rot. Bonds5

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

N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119770249) has the molecular formula C19H26ClN5O and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119770249
Molecular FormulaC19H26ClN5O
Molecular Weight375.90 g/mol
Exact Mass375.18
IUPAC NameN-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1C1(CNC(=O)c2cn(C3CCNCC3)nn2)CC1.Cl
InChIInChI=1S/C19H25N5O.ClH/c1-14-4-2-3-5-16(14)19(8-9-19)13-21-18(25)17-12-24(23-22-17)15-6-10-20-11-7-15;/h2-5,12,15,20H,6-11,13H2,1H3,(H,21,25);1H
InChIKeyVJHARVVABYWFFI-UHFFFAOYSA-N
XLogP2.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119747043
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-[[1-(dimethylamino)cyclopentyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119830076
N-[2-methyl-1-(2-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119782766
N-[2-(2,6-dimethylphenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119734919
N-(2-methylpropyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673779
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-prop-2-ynyltriazole-4-carboxamide
CID 63283381
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
ethyl 2-phenyl-3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]propanoate;hydrochloride
CID 119805449
N-[3-methyl-1-(2-methylphenyl)butyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119782809

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119770249) is N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccccc1C1(CNC(=O)c2cn(C3CCNCC3)nn2)CC1.Cl.
What is the InChIKey of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is VJHARVVABYWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.ClH/c1-14-4-2-3-5-16(14)19(8-9-19)13-21-18(25)17-12-24(23-22-17)15-6-10-20-11-7-15;/h2-5,12,15,20H,6-11,13H2,1H3,(H,21,25);1H.
What are the key properties of N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylphenyl)cyclopropyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119770249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).