2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

C26H23N3O2 — CID 56515984

IUPAC2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C#Cc2ccccn2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C26H23N3O2/c30-24-14-5-7-18-29(24)25(21-10-2-1-3-11-21)26(31)28-23-13-8-9-20(19-23)15-16-22-12-4-6-17-27-22/h1-4,6,8-13,17,19,25H,5,7,14,18H2,(H,28,31)
InChIKeyHKVSEADKTVDBDR-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.17
Rot. Bonds4

About 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide

2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (PubChem CID 56515984) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
PubChem CID56515984
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide
SMILESO=C(Nc1cccc(C#Cc2ccccn2)c1)C(c1ccccc1)N1CCCCC1=O
InChIInChI=1S/C26H23N3O2/c30-24-14-5-7-18-29(24)25(21-10-2-1-3-11-21)26(31)28-23-13-8-9-20(19-23)15-16-22-12-4-6-17-27-22/h1-4,6,8-13,17,19,25H,5,7,14,18H2,(H,28,31)
InChIKeyHKVSEADKTVDBDR-UHFFFAOYSA-N
XLogP4.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyridin-2-ylsulfanylmethyl)phenyl]acetamide
CID 56577093
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
N-[3-(morpholine-4-carbonyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56577911
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 99816438
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
(2S)-N-imidazo[1,2-a]pyridin-5-yl-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 124887769
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515457

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide (CID 56515984) is 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is O=C(Nc1cccc(C#Cc2ccccn2)c1)C(c1ccccc1)N1CCCCC1=O.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
The InChIKey is HKVSEADKTVDBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c30-24-14-5-7-18-29(24)25(21-10-2-1-3-11-21)26(31)28-23-13-8-9-20(19-23)15-16-22-12-4-6-17-27-22/h1-4,6,8-13,17,19,25H,5,7,14,18H2,(H,28,31).
What are the key properties of 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide?
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide has a molecular weight of 409.49 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]acetamide is sourced from PubChem (CID 56515984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).