1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one

C12H21N3O2 — CID 64681617

IUPAC1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one
SMILESCN1CCN(C(=O)C2(C)CCCNC2)CC1=O
InChIInChI=1S/C12H21N3O2/c1-12(4-3-5-13-9-12)11(17)15-7-6-14(2)10(16)8-15/h13H,3-9H2,1-2H3
InChIKeyXWBZLTHZGMPWNF-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.32
Rot. Bonds1

About 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one

1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one (PubChem CID 64681617) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one
PubChem CID64681617
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one
SMILESCN1CCN(C(=O)C2(C)CCCNC2)CC1=O
InChIInChI=1S/C12H21N3O2/c1-12(4-3-5-13-9-12)11(17)15-7-6-14(2)10(16)8-15/h13H,3-9H2,1-2H3
InChIKeyXWBZLTHZGMPWNF-UHFFFAOYSA-N
XLogP-0.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one (CID 64681617) is 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one is CN1CCN(C(=O)C2(C)CCCNC2)CC1=O.
What is the InChIKey of 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one?
The InChIKey is XWBZLTHZGMPWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(4-3-5-13-9-12)11(17)15-7-6-14(2)10(16)8-15/h13H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one?
1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one has a molecular weight of 239.32 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylpiperidine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 64681617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).