2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide

C24H27ClFN3O2 — CID 42843656

IUPAC2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
SMILESO=C(Nc1cccc(F)c1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H27ClFN3O2/c25-21-11-4-3-10-20(21)24(31)29-14-12-28(13-15-29)22(17-6-1-2-7-17)23(30)27-19-9-5-8-18(26)16-19/h3-5,8-11,16-17,22H,1-2,6-7,12-15H2,(H,27,30)
InChIKeyOZUVBFJWRPVYBG-UHFFFAOYSA-N
MW443.95 g/mol
LogP4.43
Rot. Bonds5

About 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide

2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide (PubChem CID 42843656) has the molecular formula C24H27ClFN3O2 and a molecular weight of 443.95 g/mol. Its IUPAC name is 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
PubChem CID42843656
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.95 g/mol
Exact Mass443.18
IUPAC Name2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
SMILESO=C(Nc1cccc(F)c1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C24H27ClFN3O2/c25-21-11-4-3-10-20(21)24(31)29-14-12-28(13-15-29)22(17-6-1-2-7-17)23(30)27-19-9-5-8-18(26)16-19/h3-5,8-11,16-17,22H,1-2,6-7,12-15H2,(H,27,30)
InChIKeyOZUVBFJWRPVYBG-UHFFFAOYSA-N
XLogP4.43
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027494
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 42843657
2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-phenylacetamide
CID 46027426
(2R)-N-(3-chlorophenyl)-2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-cyclopentylacetamide
CID 93221895
4-[(1R)-1-cyclopentyl-2-oxo-2-piperidin-1-ylethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221394
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 46027646
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
(2S)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]-N-[(3-fluorophenyl)methyl]acetamide
CID 93210224
N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]acetamide
CID 46027634
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]acetamide
CID 93222111
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-prop-2-enylacetamide
CID 46024550

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide (CID 42843656) is 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide is O=C(Nc1cccc(F)c1)C(C1CCCC1)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide?
The InChIKey is OZUVBFJWRPVYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClFN3O2/c25-21-11-4-3-10-20(21)24(31)29-14-12-28(13-15-29)22(17-6-1-2-7-17)23(30)27-19-9-5-8-18(26)16-19/h3-5,8-11,16-17,22H,1-2,6-7,12-15H2,(H,27,30).
What are the key properties of 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide?
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide has a molecular weight of 443.95 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 42843656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).