N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide

C18H24N6O — CID 167792374

IUPACN-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1CC(Nc2ccccc2)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H24N6O/c25-18(17-12-24(23-22-17)16-6-8-19-9-7-16)21-15-10-14(11-15)20-13-4-2-1-3-5-13/h1-5,12,14-16,19-20H,6-11H2,(H,21,25)
InChIKeyIFDDPDAMYYZMNY-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.58
Rot. Bonds5

About N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide

N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 167792374) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID167792374
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC1CC(Nc2ccccc2)C1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C18H24N6O/c25-18(17-12-24(23-22-17)16-6-8-19-9-7-16)21-15-10-14(11-15)20-13-4-2-1-3-5-13/h1-5,12,14-16,19-20H,6-11H2,(H,21,25)
InChIKeyIFDDPDAMYYZMNY-UHFFFAOYSA-N
XLogP1.58
TPSA83.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-phenylcyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119774767
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768
N-(1-benzylpiperidin-3-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119855967
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-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
N-(3-ethylcyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119793298
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-(2-phenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709312
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255

Frequently Asked Questions

What is the IUPAC name of N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide (CID 167792374) is N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide is O=C(NC1CC(Nc2ccccc2)C1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is IFDDPDAMYYZMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c25-18(17-12-24(23-22-17)16-6-8-19-9-7-16)21-15-10-14(11-15)20-13-4-2-1-3-5-13/h1-5,12,14-16,19-20H,6-11H2,(H,21,25).
What are the key properties of N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilinocyclobutyl)-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 167792374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).