2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide

C17H22N2O2 — CID 171130359

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CC3CCCC3C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12(20)13-5-7-16(8-6-13)18-17(21)11-19-9-14-3-2-4-15(14)10-19/h5-8,14-15H,2-4,9-11H2,1H3,(H,18,21)
InChIKeyQTKIGICQUOIULO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.56
Rot. Bonds4

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide (PubChem CID 171130359) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide
PubChem CID171130359
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CC3CCCC3C2)cc1
InChIInChI=1S/C17H22N2O2/c1-12(20)13-5-7-16(8-6-13)18-17(21)11-19-9-14-3-2-4-15(14)10-19/h5-8,14-15H,2-4,9-11H2,1H3,(H,18,21)
InChIKeyQTKIGICQUOIULO-UHFFFAOYSA-N
XLogP2.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
4-[[2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]acetyl]amino]benzamide
CID 11940672
4-[[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)acetyl]amino]-N,N-dimethylbenzamide
CID 46802394
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(3-methylphenyl)acetamide
CID 155981782
ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
4-[[2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]acetyl]amino]benzamide
CID 91828868
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
N-(3-acetylphenyl)-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410437
2-[acetyl(cycloheptyl)amino]-N-(4-acetylphenyl)acetamide
CID 113166396
ethyl 4-[2-(4-acetylanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 8932201

Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide (CID 171130359) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide is CC(=O)c1ccc(NC(=O)CN2CC3CCCC3C2)cc1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide?
The InChIKey is QTKIGICQUOIULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20)13-5-7-16(8-6-13)18-17(21)11-19-9-14-3-2-4-15(14)10-19/h5-8,14-15H,2-4,9-11H2,1H3,(H,18,21).
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-acetylphenyl)acetamide is sourced from PubChem (CID 171130359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).