2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide

C24H28FN3O2 — CID 46027426

IUPAC2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H28FN3O2/c25-21-13-7-6-12-20(21)24(30)28-16-14-27(15-17-28)22(18-8-4-5-9-18)23(29)26-19-10-2-1-3-11-19/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2,(H,26,29)
InChIKeyHUDJBWFBQSWQKZ-UHFFFAOYSA-N
MW409.50 g/mol
LogP3.78
Rot. Bonds5

About 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide

2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide (PubChem CID 46027426) has the molecular formula C24H28FN3O2 and a molecular weight of 409.50 g/mol. Its IUPAC name is 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
PubChem CID46027426
Molecular FormulaC24H28FN3O2
Molecular Weight409.50 g/mol
Exact Mass409.22
IUPAC Name2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
SMILESO=C(Nc1ccccc1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C24H28FN3O2/c25-21-13-7-6-12-20(21)24(30)28-16-14-27(15-17-28)22(18-8-4-5-9-18)23(29)26-19-10-2-1-3-11-19/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2,(H,26,29)
InChIKeyHUDJBWFBQSWQKZ-UHFFFAOYSA-N
XLogP3.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 46024216
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-(2-methylbutyl)acetamide
CID 46024494
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 42842706
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
CID 46027634
N-cyclopropyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]propanamide
CID 51329108

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The IUPAC name of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide (CID 46027426) is 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide is O=C(Nc1ccccc1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
The InChIKey is HUDJBWFBQSWQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c25-21-13-7-6-12-20(21)24(30)28-16-14-27(15-17-28)22(18-8-4-5-9-18)23(29)26-19-10-2-1-3-11-19/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2,(H,26,29).
What are the key properties of 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide?
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide has a molecular weight of 409.50 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide is sourced from PubChem (CID 46027426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).