N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide

C18H24N6O3 — CID 119752139

IUPACN-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C18H24N6O3/c1-2-27-15-5-3-13(4-6-15)21-17(25)11-20-18(26)16-12-24(23-22-16)14-7-9-19-10-8-14/h3-6,12,14,19H,2,7-11H2,1H3,(H,20,26)(H,21,25)
InChIKeyNCHPFMWCKBMMJW-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.97
Rot. Bonds7

About N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119752139) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119752139
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C18H24N6O3/c1-2-27-15-5-3-13(4-6-15)21-17(25)11-20-18(26)16-12-24(23-22-16)14-7-9-19-10-8-14/h3-6,12,14,19H,2,7-11H2,1H3,(H,20,26)(H,21,25)
InChIKeyNCHPFMWCKBMMJW-UHFFFAOYSA-N
XLogP0.97
TPSA110.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283121
methyl 2-[(1-piperidin-4-yltriazole-4-carbonyl)amino]acetate
CID 63283122
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide
CID 119698612
1-piperidin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]triazole-4-carboxamide;hydrochloride
CID 119698611
N-[4-(cyclohexylmethoxy)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119763422
N-[4-(2-hydroxycyclohexyl)oxyphenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119793747
N-[4-(3-methylbutanoylamino)phenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119703611
1-piperidin-4-yl-N-(4-pyridin-4-yloxyphenyl)triazole-4-carboxamide
CID 119867835
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
ethyl 4-[(1-piperidin-4-yltriazole-4-carbonyl)amino]butanoate
CID 119726260
1-piperidin-4-yl-N-[4-(propylsulfonylamino)phenyl]triazole-4-carboxamide;hydrochloride
CID 119754212
N-[1-(3-ethoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119745542

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119752139) is N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide is CCOc1ccc(NC(=O)CNC(=O)c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is NCHPFMWCKBMMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-2-27-15-5-3-13(4-6-15)21-17(25)11-20-18(26)16-12-24(23-22-16)14-7-9-19-10-8-14/h3-6,12,14,19H,2,7-11H2,1H3,(H,20,26)(H,21,25).
What are the key properties of N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 372.43 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-2-oxoethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119752139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).