4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one

C24H26F2N2O2 — CID 77456562

IUPAC4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)NC(c2ccccc2)CN1C(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C24H26F2N2O2/c1-14(2)10-22-23(29)27-21(15-6-4-3-5-7-15)13-28(22)24(30)19-12-18(19)17-9-8-16(25)11-20(17)26/h3-9,11,14,18-19,21-22H,10,12-13H2,1-2H3,(H,27,29)
InChIKeyMCSUSMGNLURGNA-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.18
Rot. Bonds5

About 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one

4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one (PubChem CID 77456562) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
PubChem CID77456562
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC Name4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
SMILESCC(C)CC1C(=O)NC(c2ccccc2)CN1C(=O)C1CC1c1ccc(F)cc1F
InChIInChI=1S/C24H26F2N2O2/c1-14(2)10-22-23(29)27-21(15-6-4-3-5-7-15)13-28(22)24(30)19-12-18(19)17-9-8-16(25)11-20(17)26/h3-9,11,14,18-19,21-22H,10,12-13H2,1-2H3,(H,27,29)
InChIKeyMCSUSMGNLURGNA-UHFFFAOYSA-N
XLogP4.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[5-(4-fluorophenyl)-1,2,4-oxadiazole-3-carbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one
CID 77456582
(2S)-1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-2-carboxylic acid
CID 125119691
4-[2-(4-chlorophenyl)cyclopropanecarbonyl]-6-(cyclopropylmethyl)-3-(2-methylpropyl)piperazin-2-one
CID 77456720
1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691321
4-[2-(4-tert-butylphenyl)cyclopropanecarbonyl]-3,6-bis(2-methylpropyl)piperazin-2-one
CID 77456649
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-(2,4-difluorophenyl)cyclopropyl]methanone;hydrochloride
CID 120659754
1-[(1S,2S)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidine-4-carboxylic acid
CID 124702124
4-[3-(2,4-difluorophenyl)prop-2-enoyl]-3-(2-methylpropyl)-6-thiophen-2-ylpiperazin-2-one
CID 77456698
[2-(2,4-difluorophenyl)cyclopropyl]-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572434
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]morpholine-3-carboxylic acid
CID 119216768
(2R)-3-[cyclopropyl-[(1R,2R)-2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]-2-methylpropanoic acid
CID 125149189
3-amino-N-[[1-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579912

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The IUPAC name of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one (CID 77456562) is 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one is CC(C)CC1C(=O)NC(c2ccccc2)CN1C(=O)C1CC1c1ccc(F)cc1F.
What is the InChIKey of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
The InChIKey is MCSUSMGNLURGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c1-14(2)10-22-23(29)27-21(15-6-4-3-5-7-15)13-28(22)24(30)19-12-18(19)17-9-8-16(25)11-20(17)26/h3-9,11,14,18-19,21-22H,10,12-13H2,1-2H3,(H,27,29).
What are the key properties of 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one?
4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one has a molecular weight of 412.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenyl)cyclopropanecarbonyl]-3-(2-methylpropyl)-6-phenylpiperazin-2-one is sourced from PubChem (CID 77456562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).