2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide

C21H31N3O2 — CID 46024730

IUPAC2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C21H31N3O2/c1-3-22-20(25)19(17-9-5-6-10-17)23-12-14-24(15-13-23)21(26)18-11-7-4-8-16(18)2/h4,7-8,11,17,19H,3,5-6,9-10,12-15H2,1-2H3,(H,22,25)
InChIKeyHQZZUZHFHINGRZ-UHFFFAOYSA-N
MW357.50 g/mol
LogP2.45
Rot. Bonds5

About 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide

2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 46024730) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID46024730
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C21H31N3O2/c1-3-22-20(25)19(17-9-5-6-10-17)23-12-14-24(15-13-23)21(26)18-11-7-4-8-16(18)2/h4,7-8,11,17,19H,3,5-6,9-10,12-15H2,1-2H3,(H,22,25)
InChIKeyHQZZUZHFHINGRZ-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 93210313
2-cyclopentyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 46152900
2-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide
CID 46024701
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-ethylacetamide
CID 46024727
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 46024721
(2S)-2-cyclopentyl-N-ethyl-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210620
(2R)-2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(2-phenylethyl)acetamide
CID 93209331
(2S)-2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-ethylacetamide
CID 93210659
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide (CID 46024730) is 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide is CCNC(=O)C(C1CCCC1)N1CCN(C(=O)c2ccccc2C)CC1.
What is the InChIKey of 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is HQZZUZHFHINGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-22-20(25)19(17-9-5-6-10-17)23-12-14-24(15-13-23)21(26)18-11-7-4-8-16(18)2/h4,7-8,11,17,19H,3,5-6,9-10,12-15H2,1-2H3,(H,22,25).
What are the key properties of 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 357.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-ethyl-2-[4-(2-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 46024730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).