3-methyl-4-(oxane-2-carbonyl)piperazin-2-one

C11H18N2O3 — CID 63607255

IUPAC3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CCCCO1
InChIInChI=1S/C11H18N2O3/c1-8-10(14)12-5-6-13(8)11(15)9-4-2-3-7-16-9/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyZMHOAMPYUNQTDU-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds1

About 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one

3-methyl-4-(oxane-2-carbonyl)piperazin-2-one (PubChem CID 63607255) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
PubChem CID63607255
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)C1CCCCO1
InChIInChI=1S/C11H18N2O3/c1-8-10(14)12-5-6-13(8)11(15)9-4-2-3-7-16-9/h8-9H,2-7H2,1H3,(H,12,14)
InChIKeyZMHOAMPYUNQTDU-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945261
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
3-methyl-4-(oxolane-2-carbonyl)piperazine-2,6-dione
CID 66063083
3-methyl-4-[(2R)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 104856137
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one
CID 63608116
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63714193
4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
CID 114094357
(2-methyl-1,3-oxazinan-3-yl)-(oxolan-2-yl)methanone
CID 110739759
4-(3-bromoprop-2-ynoyl)-3-methylpiperazin-2-one
CID 131062630

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one?
The IUPAC name of 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one (CID 63607255) is 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one.
What is the SMILES notation for 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one?
The canonical SMILES for 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one is CC1C(=O)NCCN1C(=O)C1CCCCO1.
What is the InChIKey of 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one?
The InChIKey is ZMHOAMPYUNQTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-8-10(14)12-5-6-13(8)11(15)9-4-2-3-7-16-9/h8-9H,2-7H2,1H3,(H,12,14).
What are the key properties of 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one?
3-methyl-4-(oxane-2-carbonyl)piperazin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxane-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 63607255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).