N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

C19H27ClN6O2 — CID 119685390

IUPACN-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-3-24(4-2)19(27)14-6-5-7-15(12-14)21-18(26)17-13-25(23-22-17)16-8-10-20-11-9-16;/h5-7,12-13,16,20H,3-4,8-11H2,1-2H3,(H,21,26);1H
InChIKeyFNYCSDAPRCLGKK-UHFFFAOYSA-N
MW406.92 g/mol
LogP2.36
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride

N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (PubChem CID 119685390) has the molecular formula C19H27ClN6O2 and a molecular weight of 406.92 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
PubChem CID119685390
Molecular FormulaC19H27ClN6O2
Molecular Weight406.92 g/mol
Exact Mass406.19
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl
InChIInChI=1S/C19H26N6O2.ClH/c1-3-24(4-2)19(27)14-6-5-7-15(12-14)21-18(26)17-13-25(23-22-17)16-8-10-20-11-9-16;/h5-7,12-13,16,20H,3-4,8-11H2,1-2H3,(H,21,26);1H
InChIKeyFNYCSDAPRCLGKK-UHFFFAOYSA-N
XLogP2.36
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119679642
N,N-diethyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119671423
N-[3-(dimethylsulfamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119672920
N-[3-(cyclopentylsulfanylmethyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119801054
N-[3-(2-methylpropoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419672
N-(3-phenoxyphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119673234
N-(3,4-dichlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 75419668
1-piperidin-4-yl-N-[3-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 119671254
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]benzoate;hydrochloride
CID 119672434
N-[3-[3-(dimethylamino)propoxy]phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119885815
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-ethyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119803832
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride (CID 119685390) is N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is CCN(CC)C(=O)c1cccc(NC(=O)c2cn(C3CCNCC3)nn2)c1.Cl.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
The InChIKey is FNYCSDAPRCLGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2.ClH/c1-3-24(4-2)19(27)14-6-5-7-15(12-14)21-18(26)17-13-25(23-22-17)16-8-10-20-11-9-16;/h5-7,12-13,16,20H,3-4,8-11H2,1-2H3,(H,21,26);1H.
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride?
N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119685390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).