3,3-dimethyl-1-pentylpiperazin-2-one

C11H22N2O — CID 63600378

IUPAC3,3-dimethyl-1-pentylpiperazin-2-one
SMILESCCCCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C11H22N2O/c1-4-5-6-8-13-9-7-12-11(2,3)10(13)14/h12H,4-9H2,1-3H3
InChIKeyLPTFOWYLGBYHMY-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.39
Rot. Bonds4

About 3,3-dimethyl-1-pentylpiperazin-2-one

3,3-dimethyl-1-pentylpiperazin-2-one (PubChem CID 63600378) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3,3-dimethyl-1-pentylpiperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-1-pentylpiperazin-2-one
PubChem CID63600378
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3,3-dimethyl-1-pentylpiperazin-2-one
SMILESCCCCCN1CCNC(C)(C)C1=O
InChIInChI=1S/C11H22N2O/c1-4-5-6-8-13-9-7-12-11(2,3)10(13)14/h12H,4-9H2,1-3H3
InChIKeyLPTFOWYLGBYHMY-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-3,3-dimethylpiperazin-2-one
CID 63602475
3,3-dimethyl-1-(2-propoxyethyl)piperazin-2-one
CID 106456403
N-butyl-2-(3,3-dimethyl-2-oxopiperazin-1-yl)acetamide
CID 63601251
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylpiperazin-2-one
CID 104566176
1-heptyl-3,3-dimethylpiperazine-2,5-dione
CID 64879590
1-(3-methoxypropyl)-3,3-dimethyl-1,4-diazocan-2-one
CID 117016400
5,5-dimethyl-3-propylimidazolidin-4-one
CID 83694724
3-methyl-1-nonylpiperazin-2-one
CID 63608174
1-hexylpiperazin-2-one
CID 62311409
3,3-dimethyl-1-[2-(1-methylpiperidin-2-yl)ethyl]piperazin-2-one
CID 114015237
1,3-dioctylimidazolidin-2-one
CID 19987667
2-butyl-2,8-diazaspiro[4.5]decan-1-one
CID 117003109

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-pentylpiperazin-2-one?
The IUPAC name of 3,3-dimethyl-1-pentylpiperazin-2-one (CID 63600378) is 3,3-dimethyl-1-pentylpiperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-1-pentylpiperazin-2-one?
The canonical SMILES for 3,3-dimethyl-1-pentylpiperazin-2-one is CCCCCN1CCNC(C)(C)C1=O.
What is the InChIKey of 3,3-dimethyl-1-pentylpiperazin-2-one?
The InChIKey is LPTFOWYLGBYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-6-8-13-9-7-12-11(2,3)10(13)14/h12H,4-9H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-pentylpiperazin-2-one?
3,3-dimethyl-1-pentylpiperazin-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-pentylpiperazin-2-one is sourced from PubChem (CID 63600378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).