(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one

C19H20N2O2 — CID 95199734

IUPAC(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-18(22)20(2)12-13-21(14)19(23)17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyAVBKHPSQQNIPPW-CQSZACIVSA-N
MW308.38 g/mol
LogP2.66
Rot. Bonds2

About (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one

(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one (PubChem CID 95199734) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
PubChem CID95199734
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one
SMILESC[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-14-18(22)20(2)12-13-21(14)19(23)17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1
InChIKeyAVBKHPSQQNIPPW-CQSZACIVSA-N
XLogP2.66
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dimethyl-4-(1-oxo-2,3-dihydroindene-4-carbonyl)piperazin-2-one
CID 131936356
(3S)-1-methyl-3-[1-(2-phenylbenzoyl)piperidin-4-yl]azepan-2-one
CID 95832150
(3R)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
CID 124624591
(3S)-4-(1,2-dimethylpyrrole-3-carbonyl)-1,3-dimethylpiperazin-2-one
CID 124624590
1,3-dimethyl-4-[2-(2-methylpyrimidin-5-yl)quinoline-4-carbonyl]piperazin-2-one
CID 45195321
[(4aR,7aS)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(2-phenylphenyl)methanone
CID 70712706
(1R,5S)-6-methyl-3-(2-phenylbenzoyl)-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 133122074
(3S)-4-(2,4-dichlorobenzoyl)-3-methyl-1-(2-phenylphenyl)piperazin-2-one
CID 93322816
N-benzyl-2,4-dimethyl-3-oxopiperazine-1-carboxamide
CID 110746863
(3R)-1,3-dimethyl-4-(2-phenylmethoxyacetyl)piperazin-2-one
CID 95197684
1-(2-phenylbenzoyl)azetidine-2-carboxamide
CID 67018285
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251

Frequently Asked Questions

What is the IUPAC name of (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one?
The IUPAC name of (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one (CID 95199734) is (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one.
What is the SMILES notation for (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one?
The canonical SMILES for (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one is C[C@@H]1C(=O)N(C)CCN1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one?
The InChIKey is AVBKHPSQQNIPPW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-14-18(22)20(2)12-13-21(14)19(23)17-11-7-6-10-16(17)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one?
(3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one has a molecular weight of 308.38 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1,3-dimethyl-4-(2-phenylbenzoyl)piperazin-2-one is sourced from PubChem (CID 95199734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).