(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

C19H27N3O5 — CID 25292413

IUPAC(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESCOc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)cc(OC)c1
InChIInChI=1S/C19H27N3O5/c1-25-15-9-14(10-16(11-15)26-2)13-22-4-3-20-19(24)17(22)12-18(23)21-5-7-27-8-6-21/h9-11,17H,3-8,12-13H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyYKFRQRLYJRRTTO-QGZVFWFLSA-N
MW377.44 g/mol
LogP0.25
Rot. Bonds6

About (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one

(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (PubChem CID 25292413) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
PubChem CID25292413
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
SMILESCOc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)cc(OC)c1
InChIInChI=1S/C19H27N3O5/c1-25-15-9-14(10-16(11-15)26-2)13-22-4-3-20-19(24)17(22)12-18(23)21-5-7-27-8-6-21/h9-11,17H,3-8,12-13H2,1-2H3,(H,20,24)/t17-/m1/s1
InChIKeyYKFRQRLYJRRTTO-QGZVFWFLSA-N
XLogP0.25
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 42527548
methyl 1-[2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 25310065
methyl 1-[2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetyl]piperidine-4-carboxylate
CID 45221729
(3S)-4-[(3,5-dimethoxyphenyl)methyl]-3-[2-(1,2-oxazolidin-2-yl)-2-oxoethyl]piperazin-2-one
CID 25365013
propyl 2-[(2S)-1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 7248067
(3S)-4-(2,2-dimethylpropyl)-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 42216653
N-cyclohexyl-2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24793235
(3S)-4-[(4-methoxy-3-methylphenyl)methyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one
CID 95711036
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-ethyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 45216925
2-[1-[(3,5-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(2-hydroxy-2-prop-2-enylpent-4-enyl)acetamide
CID 45174697
(3R)-4-[(2-ethoxyphenyl)methyl]-3-[2-(1,4-oxazepan-4-yl)-2-oxoethyl]piperazin-2-one
CID 95714986
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
CID 26400941

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The IUPAC name of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one (CID 25292413) is (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The canonical SMILES for (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is COc1cc(CN2CCNC(=O)[C@H]2CC(=O)N2CCOCC2)cc(OC)c1.
What is the InChIKey of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
The InChIKey is YKFRQRLYJRRTTO-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-25-15-9-14(10-16(11-15)26-2)13-22-4-3-20-19(24)17(22)12-18(23)21-5-7-27-8-6-21/h9-11,17H,3-8,12-13H2,1-2H3,(H,20,24)/t17-/m1/s1.
What are the key properties of (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one?
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one has a molecular weight of 377.44 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one is sourced from PubChem (CID 25292413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).