4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one

C21H21FN2O3 — CID 70732476

IUPAC4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C21H21FN2O3/c1-27-18-8-6-17(7-9-18)24-13-12-23(14-19(24)25)20(26)21(10-11-21)15-2-4-16(22)5-3-15/h2-9H,10-14H2,1H3
InChIKeyLPAYVARJPJOZCU-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.74
Rot. Bonds4

About 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one

4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one (PubChem CID 70732476) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one
PubChem CID70732476
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one
SMILESCOc1ccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2=O)cc1
InChIInChI=1S/C21H21FN2O3/c1-27-18-8-6-17(7-9-18)24-13-12-23(14-19(24)25)20(26)21(10-11-21)15-2-4-16(22)5-3-15/h2-9H,10-14H2,1H3
InChIKeyLPAYVARJPJOZCU-UHFFFAOYSA-N
XLogP2.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-fluorophenyl)piperazin-1-yl]-[1-(4-methoxyphenyl)cyclopropyl]methanone
CID 113198428
[1-(4-fluorophenyl)cyclopropyl]-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 30783883
(5R)-9-(4-fluorophenyl)-2-[4-(4-methoxyphenyl)oxane-4-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 129454830
1,4-bis(4-methoxyphenyl)piperazine-2,5-dione
CID 585094
4-[2-(4-fluorophenoxy)acetyl]-1-(4-methylphenyl)piperazin-2-one
CID 70780139
(4S)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 40822839
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598
4-[1-(4-methoxyphenyl)cyclopropanecarbonyl]piperazine-2-carboxylic acid
CID 56870037
[1-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
1-(4-methoxyphenyl)-6-[4-[1-(pyrrolidine-1-carbonyl)cyclopropyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 11756558
[1-(4-fluorophenyl)cyclopentyl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone
CID 112763134
N-[(2R)-1-[4-(4-methoxyphenyl)-3-oxopiperazin-1-yl]-1-oxopentan-2-yl]acetamide
CID 96573729

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one?
The IUPAC name of 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one (CID 70732476) is 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one.
What is the SMILES notation for 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one?
The canonical SMILES for 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one is COc1ccc(N2CCN(C(=O)C3(c4ccc(F)cc4)CC3)CC2=O)cc1.
What is the InChIKey of 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one?
The InChIKey is LPAYVARJPJOZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-27-18-8-6-17(7-9-18)24-13-12-23(14-19(24)25)20(26)21(10-11-21)15-2-4-16(22)5-3-15/h2-9H,10-14H2,1H3.
What are the key properties of 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one?
4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one has a molecular weight of 368.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-fluorophenyl)cyclopropanecarbonyl]-1-(4-methoxyphenyl)piperazin-2-one is sourced from PubChem (CID 70732476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).