N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

C23H26N2O3 — CID 52689774

IUPACN-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C23H26N2O3/c1-16-6-8-18(9-7-16)23(28)19-10-12-25(13-11-19)15-22(27)24-21-5-3-4-20(14-21)17(2)26/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyATNIATFJKDOUQK-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.73
Rot. Bonds6

About N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide

N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (PubChem CID 52689774) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
PubChem CID52689774
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC NameN-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C23H26N2O3/c1-16-6-8-18(9-7-16)23(28)19-10-12-25(13-11-19)15-22(27)24-21-5-3-4-20(14-21)17(2)26/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,27)
InChIKeyATNIATFJKDOUQK-UHFFFAOYSA-N
XLogP3.73
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-2-[3-(methylamino)pyrrolidin-1-yl]acetamide
CID 81493231
N-(3-fluorophenyl)-3-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 55864910
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 18124601
N-(3-acetylphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 60546387
N-(3-acetylphenyl)-2-[3-methyl-4-(4-methylphenyl)piperazin-1-yl]acetamide
CID 22199681
2-[4-(4-methylbenzoyl)piperidin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylacetamide
CID 55865545
N-(4-acetylphenyl)-3-(4-benzoylpiperidin-1-yl)propanamide
CID 33215029
N-(3-acetylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063815
N-(2,4-dimethoxyphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide
CID 24762127
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
4-[[2-[4-(4-methoxybenzoyl)piperidin-1-yl]acetyl]amino]benzamide
CID 16605975

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide (CID 52689774) is N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is CC(=O)c1cccc(NC(=O)CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
The InChIKey is ATNIATFJKDOUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-6-8-18(9-7-16)23(28)19-10-12-25(13-11-19)15-22(27)24-21-5-3-4-20(14-21)17(2)26/h3-9,14,19H,10-13,15H2,1-2H3,(H,24,27).
What are the key properties of N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide?
N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide has a molecular weight of 378.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 52689774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).