(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one

C15H20N2O3 — CID 95330414

IUPAC(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(COC)c1
InChIInChI=1S/C15H20N2O3/c1-3-13-14(18)16-7-8-17(13)15(19)12-6-4-5-11(9-12)10-20-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyAYYYWHYIXISMIA-CYBMUJFWSA-N
MW276.34 g/mol
LogP1.18
Rot. Bonds4

About (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one

(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one (PubChem CID 95330414) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
PubChem CID95330414
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
SMILESCC[C@@H]1C(=O)NCCN1C(=O)c1cccc(COC)c1
InChIInChI=1S/C15H20N2O3/c1-3-13-14(18)16-7-8-17(13)15(19)12-6-4-5-11(9-12)10-20-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyAYYYWHYIXISMIA-CYBMUJFWSA-N
XLogP1.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
(3S)-3-ethyl-4-[5-(methoxymethyl)pyridine-3-carbonyl]-1,4-diazepan-2-one
CID 138024641
3-ethyl-4-(quinoxaline-6-carbonyl)piperazin-2-one
CID 63602080
4-(3H-benzimidazole-5-carbonyl)-3-ethylpiperazin-2-one
CID 63602039
3-ethyl-4-(1-methyl-2-oxopyridine-4-carbonyl)piperazin-2-one
CID 55217695
(3R)-3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
CID 1382904
6-[(2R)-2-ethyl-3-oxopiperazine-1-carbonyl]-3-methyl-1H-benzimidazol-2-one
CID 97096717
2-[3-[(2S)-2-ethyl-3-oxopiperazine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126436640
benzyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960076
3-ethyl-4-(2-methylbenzoyl)piperazin-2-one
CID 63601884
6-(2-ethyl-3-oxopiperazine-1-carbonyl)pyridine-2-carboxylic acid
CID 63603373
2-[4-(2-ethyl-3-oxopiperazine-1-carbonyl)phenoxy]acetic acid
CID 136552744

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one?
The IUPAC name of (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one (CID 95330414) is (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one?
The canonical SMILES for (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one is CC[C@@H]1C(=O)NCCN1C(=O)c1cccc(COC)c1.
What is the InChIKey of (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one?
The InChIKey is AYYYWHYIXISMIA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-3-13-14(18)16-7-8-17(13)15(19)12-6-4-5-11(9-12)10-20-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one?
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one has a molecular weight of 276.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one is sourced from PubChem (CID 95330414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).