N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H24ClN5O — CID 119774767

IUPACN-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC(c2ccccc2)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H23N5O.ClH/c24-18(17-12-23(22-21-17)16-6-8-19-9-7-16)20-15-10-14(11-15)13-4-2-1-3-5-13;/h1-5,12,14-16,19H,6-11H2,(H,20,24);1H
InChIKeyIZXZYSMQLAUFMI-UHFFFAOYSA-N
MW361.88 g/mol
LogP2.30
Rot. Bonds4

About N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119774767) has the molecular formula C18H24ClN5O and a molecular weight of 361.88 g/mol. Its IUPAC name is N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119774767
Molecular FormulaC18H24ClN5O
Molecular Weight361.88 g/mol
Exact Mass361.17
IUPAC NameN-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(NC1CC(c2ccccc2)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H23N5O.ClH/c24-18(17-12-23(22-21-17)16-6-8-19-9-7-16)20-15-10-14(11-15)13-4-2-1-3-5-13;/h1-5,12,14-16,19H,6-11H2,(H,20,24);1H
InChIKeyIZXZYSMQLAUFMI-UHFFFAOYSA-N
XLogP2.30
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.88
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 167792374
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
(2-methyl-4-phenylpyrrolidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119790919
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
1-piperidin-4-yl-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)triazole-4-carboxamide;hydrochloride
CID 119761004
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119702447
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119774767) is N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(NC1CC(c2ccccc2)C1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is IZXZYSMQLAUFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O.ClH/c24-18(17-12-23(22-21-17)16-6-8-19-9-7-16)20-15-10-14(11-15)13-4-2-1-3-5-13;/h1-5,12,14-16,19H,6-11H2,(H,20,24);1H.
What are the key properties of N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 361.88 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119774767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).