4-amino-1-(3-methylbutyl)piperidin-2-one

C10H20N2O — CID 83636424

IUPAC4-amino-1-(3-methylbutyl)piperidin-2-one
SMILESCC(C)CCN1CCC(N)CC1=O
InChIInChI=1S/C10H20N2O/c1-8(2)3-5-12-6-4-9(11)7-10(12)13/h8-9H,3-7,11H2,1-2H3
InChIKeyZGLXLTMYDOZLPM-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.98
Rot. Bonds3

About 4-amino-1-(3-methylbutyl)piperidin-2-one

4-amino-1-(3-methylbutyl)piperidin-2-one (PubChem CID 83636424) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-amino-1-(3-methylbutyl)piperidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-methylbutyl)piperidin-2-one
PubChem CID83636424
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name4-amino-1-(3-methylbutyl)piperidin-2-one
SMILESCC(C)CCN1CCC(N)CC1=O
InChIInChI=1S/C10H20N2O/c1-8(2)3-5-12-6-4-9(11)7-10(12)13/h8-9H,3-7,11H2,1-2H3
InChIKeyZGLXLTMYDOZLPM-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3,3,3-trifluoropropyl)piperidin-2-one
CID 83820754
3-amino-1-(4-methylpentyl)pyrrolidin-2-one
CID 63004038
3-amino-1-(5-methylhexan-2-yl)pyrrolidin-2-one
CID 63925092
4-(3-methylbutyl)morpholin-3-one
CID 58222536
1-(3-methylbutyl)-4-(4-propan-2-ylcyclohexyl)piperazin-2-one
CID 176796740
3-hydroxy-1-(3-methylbutyl)piperidin-2-one
CID 117014091
1-(3-methylbutyl)-6-oxopiperidine-3-carbonitrile
CID 116837809
1-(3-methylbutyl)piperidine-2,5-dione
CID 83696753
(3R)-N-cyclohexyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 40515594
ethane;4-ethyl-1-(2-methoxyethyl)piperidin-2-one
CID 142537667
4-amino-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one;dihydrochloride
CID 82021991
4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
CID 168699407

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-methylbutyl)piperidin-2-one?
The IUPAC name of 4-amino-1-(3-methylbutyl)piperidin-2-one (CID 83636424) is 4-amino-1-(3-methylbutyl)piperidin-2-one.
What is the SMILES notation for 4-amino-1-(3-methylbutyl)piperidin-2-one?
The canonical SMILES for 4-amino-1-(3-methylbutyl)piperidin-2-one is CC(C)CCN1CCC(N)CC1=O.
What is the InChIKey of 4-amino-1-(3-methylbutyl)piperidin-2-one?
The InChIKey is ZGLXLTMYDOZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)3-5-12-6-4-9(11)7-10(12)13/h8-9H,3-7,11H2,1-2H3.
What are the key properties of 4-amino-1-(3-methylbutyl)piperidin-2-one?
4-amino-1-(3-methylbutyl)piperidin-2-one has a molecular weight of 184.28 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-methylbutyl)piperidin-2-one is sourced from PubChem (CID 83636424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).