(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one

C23H27N3O3 — CID 42392537

IUPAC(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@@H]1CC(=O)N1CCCCO1
InChIInChI=1S/C23H27N3O3/c27-22(26-13-4-5-15-29-26)16-21-23(28)24-12-14-25(21)17-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11,21H,4-5,12-17H2,(H,24,28)/t21-/m1/s1
InChIKeyLSYNWVGBWQEWSD-OAQYLSRUSA-N
MW393.49 g/mol
LogP2.60
Rot. Bonds5

About (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one

(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one (PubChem CID 42392537) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
PubChem CID42392537
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one
SMILESO=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@@H]1CC(=O)N1CCCCO1
InChIInChI=1S/C23H27N3O3/c27-22(26-13-4-5-15-29-26)16-21-23(28)24-12-14-25(21)17-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11,21H,4-5,12-17H2,(H,24,28)/t21-/m1/s1
InChIKeyLSYNWVGBWQEWSD-OAQYLSRUSA-N
XLogP2.60
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

4-[(4-methylphenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45211142
4-[(3-fluorophenyl)methyl]-3-[2-(oxazinan-2-yl)-2-oxoethyl]piperazin-2-one
CID 45242447
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
N,N-diethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 56891155
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 25365013
3-[[2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetyl]amino]propanamide
CID 56895540
N-(furan-2-ylmethyl)-2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95719193
N-(3-methylbutyl)-2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95708193
(3R)-4-benzyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]piperazin-2-one
CID 26333955
N-ethyl-2-[3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45181613
4-benzyl-3-[2-(4-ethylsulfonylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one
CID 50968053

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one (CID 42392537) is (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one is O=C1NCCN(Cc2ccc(-c3ccccc3)cc2)[C@@H]1CC(=O)N1CCCCO1.
What is the InChIKey of (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one?
The InChIKey is LSYNWVGBWQEWSD-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O3/c27-22(26-13-4-5-15-29-26)16-21-23(28)24-12-14-25(21)17-18-8-10-20(11-9-18)19-6-2-1-3-7-19/h1-3,6-11,21H,4-5,12-17H2,(H,24,28)/t21-/m1/s1.
What are the key properties of (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one?
(3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one has a molecular weight of 393.49 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(oxazinan-2-yl)-2-oxoethyl]-4-[(4-phenylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 42392537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).