5-amino-1-(2-methylpropyl)piperidin-3-one

C9H18N2O — CID 159668248

IUPAC5-amino-1-(2-methylpropyl)piperidin-3-one
SMILESCC(C)CN1CC(=O)CC(N)C1
InChIInChI=1S/C9H18N2O/c1-7(2)4-11-5-8(10)3-9(12)6-11/h7-8H,3-6,10H2,1-2H3
InChIKeyIHCGWYAYRBVNSO-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.24
Rot. Bonds2

About 5-amino-1-(2-methylpropyl)piperidin-3-one

5-amino-1-(2-methylpropyl)piperidin-3-one (PubChem CID 159668248) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-amino-1-(2-methylpropyl)piperidin-3-one.

Molecular Properties

Compound Name5-amino-1-(2-methylpropyl)piperidin-3-one
PubChem CID159668248
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-amino-1-(2-methylpropyl)piperidin-3-one
SMILESCC(C)CN1CC(=O)CC(N)C1
InChIInChI=1S/C9H18N2O/c1-7(2)4-11-5-8(10)3-9(12)6-11/h7-8H,3-6,10H2,1-2H3
InChIKeyIHCGWYAYRBVNSO-UHFFFAOYSA-N
XLogP0.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-methyl-3-(2-methylpropyl)-3,9-diazabicyclo[3.3.1]nonan-7-one
CID 54349876
3-(3-methylbutyl)cyclobutan-1-one
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9-(2-methylpropyl)-9-azabicyclo[3.3.1]nonan-3-one
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2,6-dimethyl-4-(2-methylpropyl)-1,4-thiazinane 1-oxide
CID 130621097
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
(3S)-3-amino-1-(2-methylpropyl)piperidine-2,6-dione
CID 39221101
4,4-dimethyl-1-(2-methylpropyl)pyrrolidin-3-amine
CID 131010662
bis(6-methyl-4-(2-methylpropyl)piperazin-2-one);4-(2-methylpropyl)piperazin-2-one
CID 171515285
1,4,7,10-tetrakis(2-methylpropyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 146611403
3-cyclopropyl-1-(2-methylpropyl)azetidine
CID 126994705
3-[1-(2-methylpropyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121183950
4-amino-1-(2,2-dimethoxyethyl)pyrrolidin-2-one
CID 168699407

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-methylpropyl)piperidin-3-one?
The IUPAC name of 5-amino-1-(2-methylpropyl)piperidin-3-one (CID 159668248) is 5-amino-1-(2-methylpropyl)piperidin-3-one.
What is the SMILES notation for 5-amino-1-(2-methylpropyl)piperidin-3-one?
The canonical SMILES for 5-amino-1-(2-methylpropyl)piperidin-3-one is CC(C)CN1CC(=O)CC(N)C1.
What is the InChIKey of 5-amino-1-(2-methylpropyl)piperidin-3-one?
The InChIKey is IHCGWYAYRBVNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(2)4-11-5-8(10)3-9(12)6-11/h7-8H,3-6,10H2,1-2H3.
What are the key properties of 5-amino-1-(2-methylpropyl)piperidin-3-one?
5-amino-1-(2-methylpropyl)piperidin-3-one has a molecular weight of 170.26 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-methylpropyl)piperidin-3-one is sourced from PubChem (CID 159668248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).