3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one

C14H27NO — CID 83055895

IUPAC3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
SMILESCCCC1CCCCN1CC(=O)C(C)CC
InChIInChI=1S/C14H27NO/c1-4-8-13-9-6-7-10-15(13)11-14(16)12(3)5-2/h12-13H,4-11H2,1-3H3
InChIKeyDRISUKHZAXWRGG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds6

About 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one

3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one (PubChem CID 83055895) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one.

Molecular Properties

Compound Name3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
PubChem CID83055895
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one
SMILESCCCC1CCCCN1CC(=O)C(C)CC
InChIInChI=1S/C14H27NO/c1-4-8-13-9-6-7-10-15(13)11-14(16)12(3)5-2/h12-13H,4-11H2,1-3H3
InChIKeyDRISUKHZAXWRGG-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-propylpiperidin-1-yl)pentan-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-(oxolan-3-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 104751033
ethyl 2-(propan-2-ylamino)-3-(2-propylpiperidin-1-yl)propanoate
CID 83061902
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
N-butan-2-yl-2-[2-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 60690066
2-(2-propylpiperidin-1-yl)pentan-3-one
CID 83056378
3,3-dimethyl-1-(2-propylpiperidin-1-yl)butan-2-ol
CID 83061736
1-pentyl-2-propylpiperidine
CID 54429991
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
2-(2-propylpiperidin-1-yl)acetaldehyde
CID 83056562
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83045729
2-(cyclopropylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83062373
methyl 2-acetamido-3-(2-propylpiperidin-1-yl)propanoate
CID 83055490

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one?
The IUPAC name of 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one (CID 83055895) is 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one.
What is the SMILES notation for 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one?
The canonical SMILES for 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one is CCCC1CCCCN1CC(=O)C(C)CC.
What is the InChIKey of 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one?
The InChIKey is DRISUKHZAXWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-8-13-9-6-7-10-15(13)11-14(16)12(3)5-2/h12-13H,4-11H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one?
3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propylpiperidin-1-yl)pentan-2-one is sourced from PubChem (CID 83055895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).