(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

C19H27N3O3 — CID 95711036

IUPAC(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCC2)cc1C
InChIInChI=1S/C19H27N3O3/c1-14-11-15(5-6-17(14)25-2)13-22-10-7-20-19(24)16(22)12-18(23)21-8-3-4-9-21/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyBSGXYNQVZWVVFZ-INIZCTEOSA-N
MW345.44 g/mol
LogP1.32
Rot. Bonds5

About (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one

(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (PubChem CID 95711036) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
PubChem CID95711036
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
SMILESCOc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCC2)cc1C
InChIInChI=1S/C19H27N3O3/c1-14-11-15(5-6-17(14)25-2)13-22-10-7-20-19(24)16(22)12-18(23)21-8-3-4-9-21/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,20,24)/t16-/m0/s1
InChIKeyBSGXYNQVZWVVFZ-INIZCTEOSA-N
XLogP1.32
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one with MolForge

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Related Compounds

3-[2-(4-hydroxy-4-phenylpiperidin-1-yl)-2-oxoethyl]-4-[(4-methoxy-3-methylphenyl)methyl]piperazin-2-one
CID 45172603
N,N-diethyl-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 95727326
3-[2-(azocan-1-yl)-2-oxoethyl]-4-benzylpiperazin-2-one
CID 46984429
4-[(2-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 45201951
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(4-chloro-3-fluorophenyl)methyl]piperazin-2-one
CID 45201011
3-[2-(azocan-1-yl)-2-oxoethyl]-4-[(3-fluorophenyl)methyl]piperazin-2-one
CID 45243475
2-[1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-pyrazol-1-ylethyl)acetamide
CID 45215989
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
N-(2,1,3-benzothiadiazol-5-ylmethyl)-2-[(2R)-1-[(4-methoxy-3-methylphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 42196097
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
methyl 1-[2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 25310065
ethyl 4-[2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperazine-1-carboxylate
CID 25381314

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The IUPAC name of (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one (CID 95711036) is (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one.
What is the SMILES notation for (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The canonical SMILES for (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCC2)cc1C.
What is the InChIKey of (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
The InChIKey is BSGXYNQVZWVVFZ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-11-15(5-6-17(14)25-2)13-22-10-7-20-19(24)16(22)12-18(23)21-8-3-4-9-21/h5-6,11,16H,3-4,7-10,12-13H2,1-2H3,(H,20,24)/t16-/m0/s1.
What are the key properties of (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one?
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one is sourced from PubChem (CID 95711036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).