2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

C18H24N6O3 — CID 46996851

IUPAC2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)no1
InChIInChI=1S/C18H24N6O3/c1-12-10-16(21-27-12)19-17(25)18(26)23-8-6-14(7-9-23)24-11-15(20-22-24)13-4-2-3-5-13/h10-11,13-14H,2-9H2,1H3,(H,19,21,25)
InChIKeyZIBGZXIPIVYINI-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.03
Rot. Bonds3

About 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide

2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (PubChem CID 46996851) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
PubChem CID46996851
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)no1
InChIInChI=1S/C18H24N6O3/c1-12-10-16(21-27-12)19-17(25)18(26)23-8-6-14(7-9-23)24-11-15(20-22-24)13-4-2-3-5-13/h10-11,13-14H,2-9H2,1H3,(H,19,21,25)
InChIKeyZIBGZXIPIVYINI-UHFFFAOYSA-N
XLogP2.03
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[3-(4-cyclopropyltriazol-1-yl)azetidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121189861
[4-(4-cyclopropyltriazol-1-yl)piperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 46983344
3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 146082322
1,4-dicyclohexyltriazole
CID 46204135
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 121190579
N-cyclopentyl-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 44996024
[4-(4-cyclohexyltriazol-1-yl)piperidin-1-yl]-[(1R,2S)-2-propylcyclopropyl]methanone
CID 46999411
1-[(3R)-3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 124891839
[(3R)-oxolan-3-yl] (3S)-3-(4-cyclopropyltriazol-1-yl)pyrrolidine-1-carboxylate
CID 129356653
3-(4-cyclopropyltriazol-1-yl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 121190717
N-(5-methyl-1,2-oxazol-3-yl)-2-oxo-2-[(3S)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 95207303
1-[3-(4-cyclopropyltriazol-1-yl)pyrrolidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 121190589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The IUPAC name of 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide (CID 46996851) is 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The canonical SMILES for 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCC(n3cc(C4CCCC4)nn3)CC2)no1.
What is the InChIKey of 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
The InChIKey is ZIBGZXIPIVYINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-12-10-16(21-27-12)19-17(25)18(26)23-8-6-14(7-9-23)24-11-15(20-22-24)13-4-2-3-5-13/h10-11,13-14H,2-9H2,1H3,(H,19,21,25).
What are the key properties of 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide?
2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide has a molecular weight of 372.43 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentyltriazol-1-yl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 46996851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).