3-(4-ethylpiperidin-2-yl)pentane-2,4-dione

C12H21NO2 — CID 114425874

IUPAC3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
SMILESCCC1CCNC(C(C(C)=O)C(C)=O)C1
InChIInChI=1S/C12H21NO2/c1-4-10-5-6-13-11(7-10)12(8(2)14)9(3)15/h10-13H,4-7H2,1-3H3
InChIKeyAMTHLLMLRGSSFO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.56
Rot. Bonds4

About 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione

3-(4-ethylpiperidin-2-yl)pentane-2,4-dione (PubChem CID 114425874) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione.

Molecular Properties

Compound Name3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
PubChem CID114425874
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(4-ethylpiperidin-2-yl)pentane-2,4-dione
SMILESCCC1CCNC(C(C(C)=O)C(C)=O)C1
InChIInChI=1S/C12H21NO2/c1-4-10-5-6-13-11(7-10)12(8(2)14)9(3)15/h10-13H,4-7H2,1-3H3
InChIKeyAMTHLLMLRGSSFO-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-butan-2-yl-4-ethylpiperidine
CID 79444187
(4-ethylpiperidin-2-yl)-pyrrolidin-2-ylmethanol
CID 106639933
1-(4-ethylpiperidin-2-yl)-3-methoxy-3-methylbutan-1-ol
CID 106676148
[4-(difluoromethyl)phenyl]-(4-ethylpiperidin-2-yl)methanol
CID 115525040
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
3-piperazin-2-ylpentane-2,4-dione
CID 174622514
4-ethyl-N-[[1-(2-methylpropyl)cyclopentyl]methyl]piperidine-2-carboxamide
CID 114429304
N-butan-2-yl-N,4-diethylpiperidine-2-carboxamide
CID 114428039
4-ethyl-N-propan-2-ylsulfonylpiperidine-2-carboxamide
CID 103307962
N-(3,5-dimethylcyclohexyl)-4-ethylpiperidine-2-carboxamide
CID 114429133
1-(4-ethylpiperidin-2-yl)-3,3-dimethylbutan-2-ol
CID 114426002
3-(3-ethylcyclohexyl)-4-methylpentan-2-one
CID 79417882

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione?
The IUPAC name of 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione (CID 114425874) is 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione.
What is the SMILES notation for 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione?
The canonical SMILES for 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione is CCC1CCNC(C(C(C)=O)C(C)=O)C1.
What is the InChIKey of 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione?
The InChIKey is AMTHLLMLRGSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-10-5-6-13-11(7-10)12(8(2)14)9(3)15/h10-13H,4-7H2,1-3H3.
What are the key properties of 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione?
3-(4-ethylpiperidin-2-yl)pentane-2,4-dione has a molecular weight of 211.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-2-yl)pentane-2,4-dione is sourced from PubChem (CID 114425874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).