N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C16H20ClF2N5O2 — CID 119786724

IUPACN-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1OC(F)F.Cl
InChIInChI=1S/C16H19F2N5O2.ClH/c1-10-2-3-11(8-14(10)25-16(17)18)20-15(24)13-9-23(22-21-13)12-4-6-19-7-5-12;/h2-3,8-9,12,16,19H,4-7H2,1H3,(H,20,24);1H
InChIKeyVMPPAZDFRXLTMX-UHFFFAOYSA-N
MW387.82 g/mol
LogP2.79
Rot. Bonds5

About N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119786724) has the molecular formula C16H20ClF2N5O2 and a molecular weight of 387.82 g/mol. Its IUPAC name is N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119786724
Molecular FormulaC16H20ClF2N5O2
Molecular Weight387.82 g/mol
Exact Mass387.13
IUPAC NameN-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1OC(F)F.Cl
InChIInChI=1S/C16H19F2N5O2.ClH/c1-10-2-3-11(8-14(10)25-16(17)18)20-15(24)13-9-23(22-21-13)12-4-6-19-7-5-12;/h2-3,8-9,12,16,19H,4-7H2,1H3,(H,20,24);1H
InChIKeyVMPPAZDFRXLTMX-UHFFFAOYSA-N
XLogP2.79
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromo-4-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119704614
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
N-(3-bromo-4-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119770027
N-(4-ethoxy-3-methoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119688375
N-(3,4-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673598
N-(2,5-dimethylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119669252
methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-(3,5-dimethoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673884
N-(1H-indol-5-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119702697
N-(4-methoxy-2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119709473
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611

Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119786724) is N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is Cc1ccc(NC(=O)c2cn(C3CCNCC3)nn2)cc1OC(F)F.Cl.
What is the InChIKey of N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is VMPPAZDFRXLTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5O2.ClH/c1-10-2-3-11(8-14(10)25-16(17)18)20-15(24)13-9-23(22-21-13)12-4-6-19-7-5-12;/h2-3,8-9,12,16,19H,4-7H2,1H3,(H,20,24);1H.
What are the key properties of N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 387.82 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethoxy)-4-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119786724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).