1,3-dimethyl-6-propan-2-ylpiperazin-2-one

C9H18N2O — CID 130002969

IUPAC1,3-dimethyl-6-propan-2-ylpiperazin-2-one
SMILESCC1NCC(C(C)C)N(C)C1=O
InChIInChI=1S/C9H18N2O/c1-6(2)8-5-10-7(3)9(12)11(8)4/h6-8,10H,5H2,1-4H3
InChIKeyHENBZHVCMMMPDH-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds1

About 1,3-dimethyl-6-propan-2-ylpiperazin-2-one

1,3-dimethyl-6-propan-2-ylpiperazin-2-one (PubChem CID 130002969) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,3-dimethyl-6-propan-2-ylpiperazin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-6-propan-2-ylpiperazin-2-one
PubChem CID130002969
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1,3-dimethyl-6-propan-2-ylpiperazin-2-one
SMILESCC1NCC(C(C)C)N(C)C1=O
InChIInChI=1S/C9H18N2O/c1-6(2)8-5-10-7(3)9(12)11(8)4/h6-8,10H,5H2,1-4H3
InChIKeyHENBZHVCMMMPDH-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-3,5-dimethylimidazolidin-4-one
CID 12794136
3,5-dimethylimidazolidin-4-one;methanol
CID 143342148
1,3-dimethylpiperazin-2-one;ethane
CID 163399035
6,6-difluoro-1-methyl-5-propan-2-yl-1,3-diazinan-2-one
CID 170016153
3-cyclopropyl-1-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64885064
1-benzylsulfonyl-5-methyl-2-propan-2-ylpiperazine
CID 82251755
5-methyl-3-(2-propan-2-ylcyclohexyl)imidazolidin-4-one
CID 83259949
3-methyl-1,4-di(propan-2-yl)imidazolidin-2-one
CID 116983109
5-methyl-3-propan-2-yl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 121205238
1-cyclopentyl-5-methyl-2-propan-2-ylpiperazine
CID 64954285
3-methyl-1-(2-methylpropyl)piperazine-2,6-dione
CID 66075671
5-methyl-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243923

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-propan-2-ylpiperazin-2-one?
The IUPAC name of 1,3-dimethyl-6-propan-2-ylpiperazin-2-one (CID 130002969) is 1,3-dimethyl-6-propan-2-ylpiperazin-2-one.
What is the SMILES notation for 1,3-dimethyl-6-propan-2-ylpiperazin-2-one?
The canonical SMILES for 1,3-dimethyl-6-propan-2-ylpiperazin-2-one is CC1NCC(C(C)C)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-6-propan-2-ylpiperazin-2-one?
The InChIKey is HENBZHVCMMMPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-6(2)8-5-10-7(3)9(12)11(8)4/h6-8,10H,5H2,1-4H3.
What are the key properties of 1,3-dimethyl-6-propan-2-ylpiperazin-2-one?
1,3-dimethyl-6-propan-2-ylpiperazin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-propan-2-ylpiperazin-2-one is sourced from PubChem (CID 130002969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).