(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one

C19H22N2O2 — CID 95813038

IUPAC(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-c2cccc(C[C@@H]3NCCN(C)C3=O)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-21-11-10-20-18(19(21)22)13-14-4-3-5-16(12-14)15-6-8-17(23-2)9-7-15/h3-9,12,18,20H,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeySLFXJFSXEPLSSJ-SFHVURJKSA-N
MW310.40 g/mol
LogP2.33
Rot. Bonds4

About (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one

(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one (PubChem CID 95813038) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
PubChem CID95813038
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
SMILESCOc1ccc(-c2cccc(C[C@@H]3NCCN(C)C3=O)c2)cc1
InChIInChI=1S/C19H22N2O2/c1-21-11-10-20-18(19(21)22)13-14-4-3-5-16(12-14)15-6-8-17(23-2)9-7-15/h3-9,12,18,20H,10-11,13H2,1-2H3/t18-/m0/s1
InChIKeySLFXJFSXEPLSSJ-SFHVURJKSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
The IUPAC name of (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one (CID 95813038) is (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one.
What is the SMILES notation for (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
The canonical SMILES for (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one is COc1ccc(-c2cccc(C[C@@H]3NCCN(C)C3=O)c2)cc1.
What is the InChIKey of (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
The InChIKey is SLFXJFSXEPLSSJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-21-11-10-20-18(19(21)22)13-14-4-3-5-16(12-14)15-6-8-17(23-2)9-7-15/h3-9,12,18,20H,10-11,13H2,1-2H3/t18-/m0/s1.
What are the key properties of (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one?
(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one has a molecular weight of 310.40 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one is sourced from PubChem (CID 95813038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).