(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one

C22H22F2N2O2 — CID 124969913

IUPAC(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)C2CCC2)[C@@H]1Cc1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C22H22F2N2O2/c23-18-6-2-5-17(20(18)24)15-9-7-14(8-10-15)13-19-21(27)25-11-12-26(19)22(28)16-3-1-4-16/h2,5-10,16,19H,1,3-4,11-13H2,(H,25,27)/t19-/m1/s1
InChIKeyJMDYRQCMTSUQPG-LJQANCHMSA-N
MW384.43 g/mol
LogP3.30
Rot. Bonds4

About (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one

(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one (PubChem CID 124969913) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one
PubChem CID124969913
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one
SMILESO=C1NCCN(C(=O)C2CCC2)[C@@H]1Cc1ccc(-c2cccc(F)c2F)cc1
InChIInChI=1S/C22H22F2N2O2/c23-18-6-2-5-17(20(18)24)15-9-7-14(8-10-15)13-19-21(27)25-11-12-26(19)22(28)16-3-1-4-16/h2,5-10,16,19H,1,3-4,11-13H2,(H,25,27)/t19-/m1/s1
InChIKeyJMDYRQCMTSUQPG-LJQANCHMSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one with MolForge

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Related Compounds

4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
CID 110657064
(3R)-3-benzyl-4-(2-fluoro-4-methylbenzoyl)piperazin-2-one
CID 29182015
(3R)-3-benzyl-4-[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperazin-2-one
CID 97128140
(3R)-4-(cyclobutanecarbonyl)-1-prop-2-enyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
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(3S)-4-[3-(4-chlorophenyl)propanoyl]-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 125011929
[3-amino-2-[[4-fluoro-3-(3-fluorophenyl)phenyl]methyl]pyrrolidin-1-yl]-cyclobutylmethanone
CID 137471212
(3R)-4-[3-(2-chlorophenyl)benzoyl]-3-(2-hydroxyethyl)piperazin-2-one
CID 125170757
4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 56911735
(3S)-4-[(2,3-difluorophenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95726510
(3S)-3-benzyl-4-(4-hydroxybenzoyl)piperazin-2-one
CID 29028046
4-(cyclobutanecarbonyl)-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250581
6-[[4-(2-fluorophenyl)phenyl]methyl]-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-1,4-diazepan-5-one
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Frequently Asked Questions

What is the IUPAC name of (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one (CID 124969913) is (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one is O=C1NCCN(C(=O)C2CCC2)[C@@H]1Cc1ccc(-c2cccc(F)c2F)cc1.
What is the InChIKey of (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one?
The InChIKey is JMDYRQCMTSUQPG-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c23-18-6-2-5-17(20(18)24)15-9-7-14(8-10-15)13-19-21(27)25-11-12-26(19)22(28)16-3-1-4-16/h2,5-10,16,19H,1,3-4,11-13H2,(H,25,27)/t19-/m1/s1.
What are the key properties of (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one?
(3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one has a molecular weight of 384.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(cyclobutanecarbonyl)-3-[[4-(2,3-difluorophenyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 124969913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).