3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one

C11H19N3O2 — CID 104913941

IUPAC3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)[C@H]1CCCCN1
InChIInChI=1S/C11H19N3O2/c1-8-10(15)13-6-7-14(8)11(16)9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyQMFSEVJKBBRBGH-YGPZHTELSA-N
MW225.29 g/mol
LogP-0.52
Rot. Bonds1

About 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one

3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one (PubChem CID 104913941) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
PubChem CID104913941
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)[C@H]1CCCCN1
InChIInChI=1S/C11H19N3O2/c1-8-10(15)13-6-7-14(8)11(16)9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,15)/t8?,9-/m1/s1
InChIKeyQMFSEVJKBBRBGH-YGPZHTELSA-N
XLogP-0.52
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonyl)-3-methylpiperazin-2-one
CID 63608116
3-methyl-4-(oxane-2-carbonyl)piperazin-2-one
CID 63607255
(2-methylpyrrolidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 90464822
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
4-acetyl-3-methylpiperazin-2-one
CID 13190467
[(2R)-azepan-2-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 124507947
(4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 104913359
(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945261
(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545
4-(2-cyclobutylacetyl)-3-methylpiperazin-2-one
CID 103707262
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63714193
4-(4-butylcyclohexanecarbonyl)-3-methylpiperazin-2-one
CID 63374451

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one (CID 104913941) is 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one is CC1C(=O)NCCN1C(=O)[C@H]1CCCCN1.
What is the InChIKey of 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one?
The InChIKey is QMFSEVJKBBRBGH-YGPZHTELSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-10(15)13-6-7-14(8)11(16)9-4-2-3-5-12-9/h8-9,12H,2-7H2,1H3,(H,13,15)/t8?,9-/m1/s1.
What are the key properties of 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one?
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 104913941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).