2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide

C21H31N3O2 — CID 46024140

IUPAC2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H31N3O2/c1-3-22(2)21(26)19(17-9-7-8-10-17)23-13-15-24(16-14-23)20(25)18-11-5-4-6-12-18/h4-6,11-12,17,19H,3,7-10,13-16H2,1-2H3
InChIKeyQFTDTEDCPYFNIH-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide

2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide (PubChem CID 46024140) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
PubChem CID46024140
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C21H31N3O2/c1-3-22(2)21(26)19(17-9-7-8-10-17)23-13-15-24(16-14-23)20(25)18-11-5-4-6-12-18/h4-6,11-12,17,19H,3,7-10,13-16H2,1-2H3
InChIKeyQFTDTEDCPYFNIH-UHFFFAOYSA-N
XLogP2.48
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-ethyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 46024137
(2S)-2-cyclopentyl-N-ethyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methylacetamide
CID 93208786
N-benzyl-2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-methylacetamide
CID 42842361
(2S)-2-cyclopentyl-N-ethyl-N-methyl-2-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208773
N-benzyl-2-cyclopentyl-N-methyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 42842360
2-cyclopentyl-N,N-diethyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46152858
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 93208612
N-benzyl-2-cyclopentyl-N-methyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 42842363
2-cyclopentyl-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-N-methyl-N-propylacetamide
CID 24719892
2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 46024132
(2S)-2-cyclopentyl-N-(furan-2-ylmethyl)-N-methyl-2-[4-(4-nitrobenzoyl)piperazin-1-yl]acetamide
CID 93208685
(2R)-2-cyclopentyl-N,N-diethyl-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93208283

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide (CID 46024140) is 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide is CCN(C)C(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide?
The InChIKey is QFTDTEDCPYFNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-22(2)21(26)19(17-9-7-8-10-17)23-13-15-24(16-14-23)20(25)18-11-5-4-6-12-18/h4-6,11-12,17,19H,3,7-10,13-16H2,1-2H3.
What are the key properties of 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide?
2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide has a molecular weight of 357.50 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-ethyl-N-methylacetamide is sourced from PubChem (CID 46024140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).