(3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one

C24H28N2O4 — CID 124949207

IUPAC(3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one
SMILESCOc1cccc(-c2ccc(C[C@@H]3C(=O)N(C)CCN3C(=O)[C@H]3CCCO3)cc2)c1
InChIInChI=1S/C24H28N2O4/c1-25-12-13-26(24(28)22-7-4-14-30-22)21(23(25)27)15-17-8-10-18(11-9-17)19-5-3-6-20(16-19)29-2/h3,5-6,8-11,16,21-22H,4,7,12-15H2,1-2H3/t21-,22-/m1/s1
InChIKeyCSJJFAXZGKMHFS-FGZHOGPDSA-N
MW408.50 g/mol
LogP2.75
Rot. Bonds5

About (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one

(3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one (PubChem CID 124949207) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one
PubChem CID124949207
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one
SMILESCOc1cccc(-c2ccc(C[C@@H]3C(=O)N(C)CCN3C(=O)[C@H]3CCCO3)cc2)c1
InChIInChI=1S/C24H28N2O4/c1-25-12-13-26(24(28)22-7-4-14-30-22)21(23(25)27)15-17-8-10-18(11-9-17)19-5-3-6-20(16-19)29-2/h3,5-6,8-11,16,21-22H,4,7,12-15H2,1-2H3/t21-,22-/m1/s1
InChIKeyCSJJFAXZGKMHFS-FGZHOGPDSA-N
XLogP2.75
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one with MolForge

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Related Compounds

(3S)-1-ethyl-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]piperazin-2-one
CID 95811759
(3S)-1-ethyl-3-[[4-(3-methoxyphenyl)phenyl]methyl]-4-[2-(2-oxopyrrolidin-1-yl)acetyl]piperazin-2-one
CID 95811765
(3S)-4-(2-methoxyacetyl)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-prop-2-enylpiperazin-2-one
CID 95811768
(3S)-1-methyl-4-[2-[[(2R)-oxolan-2-yl]methoxy]acetyl]-3-[(4-thiophen-2-ylphenyl)methyl]piperazin-2-one
CID 124994300
1-ethyl-4-[2-(3-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250573
4-[3-(3-methoxyphenyl)propanoyl]-1,3-dimethylpiperazin-2-one
CID 110708267
(3R)-1-methyl-4-(2-methyl-1-benzofuran-5-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 125025764
4-(3-methoxybenzoyl)-1-prop-2-enyl-3-[(4-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110075912
(3R)-4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]acetyl]-1-methyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 126417175
[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124505554
(6-methoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-(oxolan-2-yl)methanone
CID 110289151
4-[3-(2-methoxyphenyl)propanoyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110250479

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one?
The IUPAC name of (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one (CID 124949207) is (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one?
The canonical SMILES for (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one is COc1cccc(-c2ccc(C[C@@H]3C(=O)N(C)CCN3C(=O)[C@H]3CCCO3)cc2)c1.
What is the InChIKey of (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one?
The InChIKey is CSJJFAXZGKMHFS-FGZHOGPDSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-25-12-13-26(24(28)22-7-4-14-30-22)21(23(25)27)15-17-8-10-18(11-9-17)19-5-3-6-20(16-19)29-2/h3,5-6,8-11,16,21-22H,4,7,12-15H2,1-2H3/t21-,22-/m1/s1.
What are the key properties of (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one?
(3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one has a molecular weight of 408.50 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[4-(3-methoxyphenyl)phenyl]methyl]-1-methyl-4-[(2R)-oxolane-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 124949207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).