3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one

C17H31NO — CID 143658692

IUPAC3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one
SMILESC=C1CCCCN1C(CCCC)(CCCC)C(C)=O
InChIInChI=1S/C17H31NO/c1-5-7-12-17(16(4)19,13-8-6-2)18-14-10-9-11-15(18)3/h3,5-14H2,1-2,4H3
InChIKeyUPLBFPOSKLACNU-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.69
Rot. Bonds8

About 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one

3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one (PubChem CID 143658692) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one.

Molecular Properties

Compound Name3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one
PubChem CID143658692
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one
SMILESC=C1CCCCN1C(CCCC)(CCCC)C(C)=O
InChIInChI=1S/C17H31NO/c1-5-7-12-17(16(4)19,13-8-6-2)18-14-10-9-11-15(18)3/h3,5-14H2,1-2,4H3
InChIKeyUPLBFPOSKLACNU-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one 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

1-[6-Methylidene-1-(3-methylidenepentyl)piperidin-2-yl]ethanone
CID 139520362
(3S,4R)-4-(cyclopentylmethyl)-3-methyl-5-piperidin-1-ylhex-5-en-2-one
CID 141965322
(4R)-4-(cyclopentylmethyl)-5-piperidin-1-ylhex-5-en-2-one
CID 141965334
2-(2-Methylidenepiperidin-1-yl)-2-propylpentanal
CID 143658733
ethane;(4R)-4-(2-piperidin-1-ylprop-2-enyl)octane-2,7-dione
CID 143764109
3-(2,2-Dimethyl-5-methylidenepyrrolidin-1-yl)nonan-4-one
CID 159627434
1-(1-Methyl-2-propylpiperidin-2-yl)prop-2-en-1-one
CID 168877584
1-[1-(4,4-Dimethylpent-1-en-2-yl)piperidin-4-yl]butan-2-one
CID 176659240
2-Methyl-5-methylidene-2-piperidin-1-ylheptan-3-one
CID 79045222
1-(1-Piperidin-1-ylcyclopentyl)but-3-en-1-one
CID 79057467
1-(1-Piperidin-1-ylcyclopentyl)pent-4-en-1-one
CID 79057727
1-(1-Piperidin-1-ylcyclopentyl)hex-5-en-1-one
CID 79059739

Frequently Asked Questions

What is the IUPAC name of 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one?
The IUPAC name of 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one (CID 143658692) is 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one.
What is the SMILES notation for 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one?
The canonical SMILES for 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one is C=C1CCCCN1C(CCCC)(CCCC)C(C)=O.
What is the InChIKey of 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one?
The InChIKey is UPLBFPOSKLACNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-7-12-17(16(4)19,13-8-6-2)18-14-10-9-11-15(18)3/h3,5-14H2,1-2,4H3.
What are the key properties of 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one?
3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one has a molecular weight of 265.44 g/mol, XLogP of 4.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-3-(2-methylidenepiperidin-1-yl)heptan-2-one is sourced from PubChem (CID 143658692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).