[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate

C15H25NO3 — CID 75466494

IUPAC[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)C=C(C)C
InChIInChI=1S/C15H25NO3/c1-5-13-8-6-7-9-16(13)15(18)12(4)19-14(17)10-11(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyXFMRHFAGYQLEQZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.68
Rot. Bonds4

About [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate

[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate (PubChem CID 75466494) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate.

Molecular Properties

Compound Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate
PubChem CID75466494
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate
SMILESCCC1CCCCN1C(=O)C(C)OC(=O)C=C(C)C
InChIInChI=1S/C15H25NO3/c1-5-13-8-6-7-9-16(13)15(18)12(4)19-14(17)10-11(2)3/h10,12-13H,5-9H2,1-4H3
InChIKeyXFMRHFAGYQLEQZ-UHFFFAOYSA-N
XLogP2.68
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(2-ethylazepan-1-yl)-4-methylpentan-1-one
CID 103832803
(2R)-2-amino-1-(2-ethylazepan-1-yl)-3-methylbutan-1-one
CID 104689769
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-(2-ethylpiperidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107022382
2-amino-1-(2-ethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119261722
2-amino-1-(2-ethylazepan-1-yl)butan-1-one
CID 115734570
(2R)-1-[(2R)-2-ethylpiperidin-1-yl]-2-methylpentan-1-one
CID 875586
1-(2-ethylazepan-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 107034891
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3,4-diethoxybenzoate
CID 55316250
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734799

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate?
The IUPAC name of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate (CID 75466494) is [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate.
What is the SMILES notation for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate?
The canonical SMILES for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate is CCC1CCCCN1C(=O)C(C)OC(=O)C=C(C)C.
What is the InChIKey of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate?
The InChIKey is XFMRHFAGYQLEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-5-13-8-6-7-9-16(13)15(18)12(4)19-14(17)10-11(2)3/h10,12-13H,5-9H2,1-4H3.
What are the key properties of [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate?
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate has a molecular weight of 267.37 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methylbut-2-enoate is sourced from PubChem (CID 75466494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).