1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one

C21H24N2O3 — CID 96577420

IUPAC1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-16(17-7-4-3-5-8-17)13-20(24)22-11-12-23(21(25)15-22)18-9-6-10-19(14-18)26-2/h3-10,14,16H,11-13,15H2,1-2H3/t16-/m1/s1
InChIKeyBMIUXACUYLDOLZ-MRXNPFEDSA-N
MW352.43 g/mol
LogP3.06
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one

1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one (PubChem CID 96577420) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
PubChem CID96577420
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one
SMILESCOc1cccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-16(17-7-4-3-5-8-17)13-20(24)22-11-12-23(21(25)15-22)18-9-6-10-19(14-18)26-2/h3-10,14,16H,11-13,15H2,1-2H3/t16-/m1/s1
InChIKeyBMIUXACUYLDOLZ-MRXNPFEDSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3-methoxyphenyl)acetyl]-1-phenylpiperazin-2-one
CID 110708431
1-(3-methoxyphenyl)-4-[(2R)-2-phenoxypropanoyl]piperazin-2-one
CID 96571058
4-[2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96579896
4-[2-(3-methoxy-2-oxo-1-pyridinyl)acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 72901150
4-[(2R)-2-(2-chlorophenyl)-2-hydroxyacetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 96576006
3-(3-methoxyphenyl)-1-piperazin-1-ylbutan-1-one
CID 82090911
1-(3-methoxyphenyl)-4-(4-pyrazol-1-ylbutanoyl)piperazin-2-one
CID 118765217
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 78768997
(4S)-4-acetamido-5-[4-(3-methoxyphenyl)-3-oxopiperazin-1-yl]-5-oxopentanamide
CID 70714332
4-[2-[5-(4,5-dimethyl-2-pyridinyl)-7-phenyl-2,3-dihydroazepin-1-yl]acetyl]-1-(3-methoxyphenyl)piperazin-2-one
CID 123968008
4-[4-(3-methoxyphenyl)-3-oxopiperazine-1-carbonyl]benzonitrile
CID 70735758

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one (CID 96577420) is 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one is COc1cccc(N2CCN(C(=O)C[C@@H](C)c3ccccc3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one?
The InChIKey is BMIUXACUYLDOLZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-16(17-7-4-3-5-8-17)13-20(24)22-11-12-23(21(25)15-22)18-9-6-10-19(14-18)26-2/h3-10,14,16H,11-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one?
1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one has a molecular weight of 352.43 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(3R)-3-phenylbutanoyl]piperazin-2-one is sourced from PubChem (CID 96577420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).