N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

C19H22N8O2 — CID 119878694

IUPACN-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC(C(=O)Nc1ccn[nH]1)c1ccccc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22N8O2/c28-18(15-12-27(26-24-15)14-6-9-20-10-7-14)23-17(13-4-2-1-3-5-13)19(29)22-16-8-11-21-25-16/h1-5,8,11-12,14,17,20H,6-7,9-10H2,(H,23,28)(H2,21,22,25,29)
InChIKeyTUWQSWKSDWJHTL-UHFFFAOYSA-N
MW394.44 g/mol
LogP1.04
Rot. Bonds6

About N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide

N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119878694) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119878694
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC NameN-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
SMILESO=C(NC(C(=O)Nc1ccn[nH]1)c1ccccc1)c1cn(C2CCNCC2)nn1
InChIInChI=1S/C19H22N8O2/c28-18(15-12-27(26-24-15)14-6-9-20-10-7-14)23-17(13-4-2-1-3-5-13)19(29)22-16-8-11-21-25-16/h1-5,8,11-12,14,17,20H,6-7,9-10H2,(H,23,28)(H2,21,22,25,29)
InChIKeyTUWQSWKSDWJHTL-UHFFFAOYSA-N
XLogP1.04
TPSA129.62 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 51.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119716614
N-(3-phenylbutan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119790461
N-(1,1-diphenylpropan-2-yl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119716613
1-piperidin-4-yl-N-(1-pyridin-3-ylethyl)triazole-4-carboxamide
CID 119998839
N-[1-(4-phenoxyphenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766161
N-(2-chlorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63282984
N-[1-(1-phenyltriazol-4-yl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119822395
N-(2-methylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119670454
N-[4-(3-phenylpropyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119769374
N-[1-(3,4-dichlorophenyl)ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119685991
1-piperidin-4-yl-N-(2-propylphenyl)triazole-4-carboxamide
CID 75419659
1-piperidin-4-yl-N-[2-(3,3,3-trifluoropropyl)phenyl]triazole-4-carboxamide;hydrochloride
CID 119819422

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide (CID 119878694) is N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is O=C(NC(C(=O)Nc1ccn[nH]1)c1ccccc1)c1cn(C2CCNCC2)nn1.
What is the InChIKey of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is TUWQSWKSDWJHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c28-18(15-12-27(26-24-15)14-6-9-20-10-7-14)23-17(13-4-2-1-3-5-13)19(29)22-16-8-11-21-25-16/h1-5,8,11-12,14,17,20H,6-7,9-10H2,(H,23,28)(H2,21,22,25,29).
What are the key properties of N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 394.44 g/mol, XLogP of 1.04, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119878694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).