(3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one

C18H24N2O4 — CID 95587043

IUPAC(3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one
SMILESCOc1cccc(CC(=O)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-13-10-16(18(22)24-13)19-6-8-20(9-7-19)17(21)12-14-4-3-5-15(11-14)23-2/h3-5,11,13,16H,6-10,12H2,1-2H3/t13-,16-/m1/s1
InChIKeyNCHPDHRDQSPWHG-CZUORRHYSA-N
MW332.40 g/mol
LogP1.09
Rot. Bonds4

About (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one

(3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one (PubChem CID 95587043) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one
PubChem CID95587043
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one
SMILESCOc1cccc(CC(=O)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)c1
InChIInChI=1S/C18H24N2O4/c1-13-10-16(18(22)24-13)19-6-8-20(9-7-19)17(21)12-14-4-3-5-15(11-14)23-2/h3-5,11,13,16H,6-10,12H2,1-2H3/t13-,16-/m1/s1
InChIKeyNCHPDHRDQSPWHG-CZUORRHYSA-N
XLogP1.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
1-[4-[2-(4-cyclobutylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 57442714
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
N'-hydroxy-1-[2-(3-methoxyphenyl)acetyl]piperidine-4-carboximidamide
CID 77039394
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38910909
2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 47439819
N-cyclopentyl-4-[2-(3-methoxyphenyl)acetyl]piperazine-1-carboxamide
CID 110811015
ethyl 2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]acetate
CID 134032771
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616
1-[4-(1-bromoethyl)piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 106839428

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one?
The IUPAC name of (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one (CID 95587043) is (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one.
What is the SMILES notation for (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one?
The canonical SMILES for (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one is COc1cccc(CC(=O)N2CCN([C@@H]3C[C@@H](C)OC3=O)CC2)c1.
What is the InChIKey of (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one?
The InChIKey is NCHPDHRDQSPWHG-CZUORRHYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-10-16(18(22)24-13)19-6-8-20(9-7-19)17(21)12-14-4-3-5-15(11-14)23-2/h3-5,11,13,16H,6-10,12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one?
(3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one has a molecular weight of 332.40 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-5-methyloxolan-2-one is sourced from PubChem (CID 95587043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).