1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one

C11H19NO — CID 116568565

IUPAC1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C11H19NO/c1-4-11(10(13)9(2)3)6-5-7-12-8-11/h12H,2,4-8H2,1,3H3
InChIKeyHWHCLRWKKBNACC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.91
Rot. Bonds3

About 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one

1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one (PubChem CID 116568565) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one.

Molecular Properties

Compound Name1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one
PubChem CID116568565
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one
SMILESC=C(C)C(=O)C1(CC)CCCNC1
InChIInChI=1S/C11H19NO/c1-4-11(10(13)9(2)3)6-5-7-12-8-11/h12H,2,4-8H2,1,3H3
InChIKeyHWHCLRWKKBNACC-UHFFFAOYSA-N
XLogP1.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone
CID 176883295
2-Methyl-1-(piperidin-4-yl)prop-2-en-1-one
CID 116547599
1-(3-Methylpiperidin-3-yl)-2-(trifluoromethyl)prop-2-en-1-one
CID 130565002
1,5,7-Trimethyl-3-azabicyclo[3.3.1]non-7-en-6-one
CID 15147429
4-Methylidene-8-azaspiro[4.5]decan-2-one
CID 19887356
3-Methyl-1-piperidin-4-ylbut-3-en-1-one
CID 20735305
3-Methyl-3-prop-2-enylpiperidin-4-one
CID 21652418
3,3,5-Tris(prop-2-enyl)piperidin-4-one
CID 69092834
(3S)-3-methyl-3-(2-methylprop-2-enyl)piperidin-2-one
CID 71486759
1-(5-Methylidenepiperidin-3-yl)ethanone
CID 91206668
2-Methyl-5-piperidin-4-ylpent-1-en-3-one
CID 116563372
1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one
CID 153493125

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one?
The IUPAC name of 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one (CID 116568565) is 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one.
What is the SMILES notation for 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one?
The canonical SMILES for 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one is C=C(C)C(=O)C1(CC)CCCNC1.
What is the InChIKey of 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one?
The InChIKey is HWHCLRWKKBNACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-11(10(13)9(2)3)6-5-7-12-8-11/h12H,2,4-8H2,1,3H3.
What are the key properties of 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one?
1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one has a molecular weight of 181.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpiperidin-3-yl)-2-methylprop-2-en-1-one is sourced from PubChem (CID 116568565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).