(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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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).