1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone

C25H29FN2O3 — CID 124964723

IUPAC1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCN1C(C)=O
InChIInChI=1S/C25H29FN2O3/c1-18(29)28-15-14-27(17-22(28)21-10-3-4-11-23(21)31-2)24(30)25(12-5-6-13-25)19-8-7-9-20(26)16-19/h3-4,7-11,16,22H,5-6,12-15,17H2,1-2H3/t22-/m0/s1
InChIKeyHZMVNSMNULUILE-QFIPXVFZSA-N
MW424.52 g/mol
LogP4.08
Rot. Bonds4

About 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone

1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 124964723) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID124964723
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC Name1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCN1C(C)=O
InChIInChI=1S/C25H29FN2O3/c1-18(29)28-15-14-27(17-22(28)21-10-3-4-11-23(21)31-2)24(30)25(12-5-6-13-25)19-8-7-9-20(26)16-19/h3-4,7-11,16,22H,5-6,12-15,17H2,1-2H3/t22-/m0/s1
InChIKeyHZMVNSMNULUILE-QFIPXVFZSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2S)-2-(2-methoxyphenyl)-4-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperazin-1-yl]ethanone
CID 129460072
(3,5-dimethylpiperidin-1-yl)-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 55341968
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
(3-fluorophenyl)-[4-[(3S)-3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]-4-methylpiperidin-1-yl]methanone
CID 124958777
3-[(2S)-1-acetyl-4-[1-(4-methoxyphenyl)cyclopentanecarbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458672
[4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 55574384
[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
[3-(1-aminoethyl)piperidin-1-yl]-[1-(3-fluorophenyl)cyclohexyl]methanone
CID 119593530
1-[(2S)-4-acetyl-2-(2-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 124947831
N-(4-fluorophenyl)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperazine-1-carboxamide
CID 55599636
[3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 110148680
[(3R)-3-(2-fluorophenoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]-[1-(3-fluorophenyl)cyclopentyl]methanone
CID 125019143

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 124964723) is 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1[C@@H]1CN(C(=O)C2(c3cccc(F)c3)CCCC2)CCN1C(C)=O.
What is the InChIKey of 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is HZMVNSMNULUILE-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-18(29)28-15-14-27(17-22(28)21-10-3-4-11-23(21)31-2)24(30)25(12-5-6-13-25)19-8-7-9-20(26)16-19/h3-4,7-11,16,22H,5-6,12-15,17H2,1-2H3/t22-/m0/s1.
What are the key properties of 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone?
1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 424.52 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-[1-(3-fluorophenyl)cyclopentanecarbonyl]-2-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 124964723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).