1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one

C12H24N2O — CID 104679974

IUPAC1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
SMILESCCC(C)C(N)CN1CCCC(C)C1=O
InChIInChI=1S/C12H24N2O/c1-4-9(2)11(13)8-14-7-5-6-10(3)12(14)15/h9-11H,4-8,13H2,1-3H3
InChIKeyQDTXUXFJMDCVLZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one

1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one (PubChem CID 104679974) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
PubChem CID104679974
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
SMILESCCC(C)C(N)CN1CCCC(C)C1=O
InChIInChI=1S/C12H24N2O/c1-4-9(2)11(13)8-14-7-5-6-10(3)12(14)15/h9-11H,4-8,13H2,1-3H3
InChIKeyQDTXUXFJMDCVLZ-UHFFFAOYSA-N
XLogP1.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-amino-3-methylpentyl)-3-methylpiperidin-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-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
CID 104679988
2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
CID 104679909
ethyl 2-(3-methyl-2-oxopiperidin-1-yl)acetate
CID 104679887
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one
CID 104680008
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-[2-(ethylamino)-2-phenylethyl]-3-methylpiperidin-2-one
CID 104680044

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one?
The IUPAC name of 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one (CID 104679974) is 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one is CCC(C)C(N)CN1CCCC(C)C1=O.
What is the InChIKey of 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one?
The InChIKey is QDTXUXFJMDCVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-9(2)11(13)8-14-7-5-6-10(3)12(14)15/h9-11H,4-8,13H2,1-3H3.
What are the key properties of 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one?
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 104679974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).