N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C18H24ClN7O2 — CID 119702447

IUPACN-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1)NC1CC1
InChIInChI=1S/C18H23N7O2.ClH/c26-17(16-11-25(24-23-16)15-7-9-19-10-8-15)20-12-1-3-13(4-2-12)21-18(27)22-14-5-6-14;/h1-4,11,14-15,19H,5-10H2,(H,20,26)(H2,21,22,27);1H
InChIKeyIORNUQMTFXEVLA-UHFFFAOYSA-N
MW405.89 g/mol
LogP2.16
Rot. Bonds5

About N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119702447) has the molecular formula C18H24ClN7O2 and a molecular weight of 405.89 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119702447
Molecular FormulaC18H24ClN7O2
Molecular Weight405.89 g/mol
Exact Mass405.17
IUPAC NameN-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1)NC1CC1
InChIInChI=1S/C18H23N7O2.ClH/c26-17(16-11-25(24-23-16)15-7-9-19-10-8-15)20-12-1-3-13(4-2-12)21-18(27)22-14-5-6-14;/h1-4,11,14-15,19H,5-10H2,(H,20,26)(H2,21,22,27);1H
InChIKeyIORNUQMTFXEVLA-UHFFFAOYSA-N
XLogP2.16
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 52.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119735222
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
1-piperidin-4-yl-N-[4-(pyridin-4-ylmethyl)phenyl]triazole-4-carboxamide;dihydrochloride
CID 119828958
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(4-tert-butylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119769642
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
1-piperidin-4-yl-N-[4-(propan-2-ylsulfamoyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119685721
N-(4-aminocyclohexyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63284768

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119702447) is N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1)NC1CC1.
What is the InChIKey of N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is IORNUQMTFXEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2.ClH/c26-17(16-11-25(24-23-16)15-7-9-19-10-8-15)20-12-1-3-13(4-2-12)21-18(27)22-14-5-6-14;/h1-4,11,14-15,19H,5-10H2,(H,20,26)(H2,21,22,27);1H.
What are the key properties of N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 405.89 g/mol, XLogP of 2.16, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).