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

C25H30FN3O2 — CID 42843657

IUPAC2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(C(C(=O)Nc3cccc(F)c3)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H30FN3O2/c1-18-9-11-20(12-10-18)25(31)29-15-13-28(14-16-29)23(19-5-2-3-6-19)24(30)27-22-8-4-7-21(26)17-22/h4,7-12,17,19,23H,2-3,5-6,13-16H2,1H3,(H,27,30)
InChIKeyDQCZMNPVLCMHOV-UHFFFAOYSA-N
MW423.53 g/mol
LogP4.09
Rot. Bonds5

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

2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 42843657) has the molecular formula C25H30FN3O2 and a molecular weight of 423.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
PubChem CID42843657
Molecular FormulaC25H30FN3O2
Molecular Weight423.53 g/mol
Exact Mass423.23
IUPAC Name2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(C(C(=O)Nc3cccc(F)c3)C3CCCC3)CC2)cc1
InChIInChI=1S/C25H30FN3O2/c1-18-9-11-20(12-10-18)25(31)29-15-13-28(14-16-29)23(19-5-2-3-6-19)24(30)27-22-8-4-7-21(26)17-22/h4,7-12,17,19,23H,2-3,5-6,13-16H2,1H3,(H,27,30)
InChIKeyDQCZMNPVLCMHOV-UHFFFAOYSA-N
XLogP4.09
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.53
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-methylphenyl)acetamide
CID 93221756
(2R)-N-(1,3-benzodioxol-5-yl)-2-cyclopentyl-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 93222100
(2S)-2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 93222066
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-(3-fluorophenyl)acetamide
CID 42843656
(2S)-N-(3-chlorophenyl)-2-cyclopentyl-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 93221893
(2R)-2-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(4-fluorophenyl)acetamide
CID 93221614
2-cyclopentyl-N-(4-fluorophenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 46027386
4-[(1R)-2-(4-acetylpiperazin-1-yl)-1-cyclopentyl-2-oxoethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 93221443
(2R)-2-cyclopentyl-2-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 93222019
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 46024575
(2S)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-cyclopentyl-N-[(3-fluorophenyl)methyl]acetamide
CID 93210232

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide (CID 42843657) is 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide is Cc1ccc(C(=O)N2CCN(C(C(=O)Nc3cccc(F)c3)C3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is DQCZMNPVLCMHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O2/c1-18-9-11-20(12-10-18)25(31)29-15-13-28(14-16-29)23(19-5-2-3-6-19)24(30)27-22-8-4-7-21(26)17-22/h4,7-12,17,19,23H,2-3,5-6,13-16H2,1H3,(H,27,30).
What are the key properties of 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide?
2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 423.53 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 42843657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).