2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone

C21H30N2O2 — CID 110366829

IUPAC2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-16(2)17-7-9-18(10-8-17)20(24)15-22-11-13-23(14-12-22)21(25)19-5-3-4-6-19/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKeyXXMPUUPCLXWXDA-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.33
Rot. Bonds5

About 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone (PubChem CID 110366829) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
PubChem CID110366829
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone
SMILESCC(C)c1ccc(C(=O)CN2CCN(C(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C21H30N2O2/c1-16(2)17-7-9-18(10-8-17)20(24)15-22-11-13-23(14-12-22)21(25)19-5-3-4-6-19/h7-10,16,19H,3-6,11-15H2,1-2H3
InChIKeyXXMPUUPCLXWXDA-UHFFFAOYSA-N
XLogP3.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylethanone
CID 110366202
1-(4-propan-2-ylphenyl)-2-(4-propan-2-ylpiperidin-1-yl)ethanone
CID 103499002
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-fluoro-3-methylphenyl)ethanone
CID 110366432
2-(4-ethylpiperidin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 63567700
2-(4-methyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 43228365
1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]piperidine-2-carboxylic acid
CID 82224047
azepan-1-yl-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 55408103
(4-methylpiperazin-1-yl)-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]methanone
CID 130315888
[4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-cyclopentylmethanone
CID 36882205
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(4-propan-2-ylphenyl)ethanone
CID 65319733
1-(4-propan-2-ylphenyl)-2-(4-propylsulfonylpiperazin-1-yl)ethanone
CID 110366862
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-[4-(2-methylpropyl)phenyl]butane-1,4-dione
CID 55689728

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone (CID 110366829) is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone is CC(C)c1ccc(C(=O)CN2CCN(C(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone?
The InChIKey is XXMPUUPCLXWXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(2)17-7-9-18(10-8-17)20(24)15-22-11-13-23(14-12-22)21(25)19-5-3-4-6-19/h7-10,16,19H,3-6,11-15H2,1-2H3.
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone?
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone has a molecular weight of 342.48 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanone is sourced from PubChem (CID 110366829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).