2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide

C21H24N2O3 — CID 78863989

IUPAC2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESO=C(CN1CCCCC1=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(15-23-13-5-4-8-21(23)25)22-14-17-9-11-19(12-10-17)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,22,24)
InChIKeyHQUXEUHHRHQNKN-UHFFFAOYSA-N
MW352.43 g/mol
LogP2.89
Rot. Bonds7

About 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide

2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide (PubChem CID 78863989) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
PubChem CID78863989
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
SMILESO=C(CN1CCCCC1=O)NCc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c24-20(15-23-13-5-4-8-21(23)25)22-14-17-9-11-19(12-10-17)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,22,24)
InChIKeyHQUXEUHHRHQNKN-UHFFFAOYSA-N
XLogP2.89
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-oxopyrrolidin-1-yl)-N-[(3-phenylmethoxyphenyl)methyl]acetamide
CID 129367971
4-[[[2-(2-oxoazocan-1-yl)acetyl]amino]methyl]benzoic acid
CID 119165488
1-[2-[(4-phenylmethoxyphenyl)methylamino]ethyl]pyrrolidin-2-one
CID 11381752
2-(2-oxoazepan-1-yl)-N-phenylmethoxyacetamide
CID 47116839
N-[2-[3,4-bis(phenylmethoxy)phenyl]ethyl]-2-(2-oxoazepan-1-yl)acetamide
CID 142011046
N-[(4-methylphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9325430
1-[3-[(4-phenylmethoxyphenyl)methylamino]propyl]pyrrolidin-2-one;hydrochloride
CID 17211904
N-[(3-methylphenyl)methyl]-2-(2-oxoazepan-1-yl)acetamide
CID 33281524
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[[3-(phenoxymethyl)phenyl]methyl]acetamide
CID 47064675
2-(2-oxopiperidin-1-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 78883415
1-[(4-methoxyphenyl)methyl]-3-[[2-(2-oxoazepan-1-yl)acetyl]amino]thiourea
CID 8677198

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide (CID 78863989) is 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide is O=C(CN1CCCCC1=O)NCc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
The InChIKey is HQUXEUHHRHQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c24-20(15-23-13-5-4-8-21(23)25)22-14-17-9-11-19(12-10-17)26-16-18-6-2-1-3-7-18/h1-3,6-7,9-12H,4-5,8,13-16H2,(H,22,24).
What are the key properties of 2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide?
2-(2-oxopiperidin-1-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide has a molecular weight of 352.43 g/mol, XLogP of 2.89, 7 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)-N-[(4-phenylmethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 78863989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).