2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide

C18H19N7O2 — CID 166260738

IUPAC2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1nccn1-c1ccccc1)C(=O)N1CCCC(n2nccn2)C1
InChIInChI=1S/C18H19N7O2/c26-16(22-18-19-10-12-24(18)14-5-2-1-3-6-14)17(27)23-11-4-7-15(13-23)25-20-8-9-21-25/h1-3,5-6,8-10,12,15H,4,7,11,13H2,(H,19,22,26)
InChIKeyYXJQXOVCZLWDQB-UHFFFAOYSA-N
MW365.40 g/mol
LogP1.27
Rot. Bonds3

About 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide

2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide (PubChem CID 166260738) has the molecular formula C18H19N7O2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide
PubChem CID166260738
Molecular FormulaC18H19N7O2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1nccn1-c1ccccc1)C(=O)N1CCCC(n2nccn2)C1
InChIInChI=1S/C18H19N7O2/c26-16(22-18-19-10-12-24(18)14-5-2-1-3-6-14)17(27)23-11-4-7-15(13-23)25-20-8-9-21-25/h1-3,5-6,8-10,12,15H,4,7,11,13H2,(H,19,22,26)
InChIKeyYXJQXOVCZLWDQB-UHFFFAOYSA-N
XLogP1.27
TPSA97.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.27
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

2-[3-(1-methylimidazol-2-yl)pyrrolidin-1-yl]-2-oxo-N-(1-phenylimidazol-2-yl)acetamide
CID 166236817
2-cyclobutyl-N-(1-phenylimidazol-2-yl)acetamide
CID 91653270
N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-2-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]acetamide
CID 99602928
N-cycloheptyl-1-phenylimidazol-2-amine
CID 106561276
phenyl 3-pyrazol-1-ylpiperidine-1-carboxylate
CID 110472446
N-[2-[3-(triazol-2-yl)piperidine-1-carbonyl]phenyl]cyclopropanesulfonamide
CID 166259809
1-ethyl-N-(1-phenylimidazol-2-yl)piperidin-3-amine
CID 106565174
(4R)-1-phenyl-4-[(3R)-3-pyrazol-1-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95158638
N-(3-chlorophenyl)-3-(triazol-2-yl)pyrrolidine-1-carboxamide
CID 121178780
(E)-3-phenyl-1-[3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 121019054
(E)-3-phenyl-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892263
N-[4-(5-chloro-1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-(triazol-2-yl)piperidine-1-carboxamide
CID 167916695

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide (CID 166260738) is 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide is O=C(Nc1nccn1-c1ccccc1)C(=O)N1CCCC(n2nccn2)C1.
What is the InChIKey of 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide?
The InChIKey is YXJQXOVCZLWDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O2/c26-16(22-18-19-10-12-24(18)14-5-2-1-3-6-14)17(27)23-11-4-7-15(13-23)25-20-8-9-21-25/h1-3,5-6,8-10,12,15H,4,7,11,13H2,(H,19,22,26).
What are the key properties of 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide?
2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide has a molecular weight of 365.40 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(1-phenylimidazol-2-yl)-2-[3-(triazol-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 166260738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).