5-amino-6-tert-butylpiperidin-2-one

C9H18N2O — CID 122236933

IUPAC5-amino-6-tert-butylpiperidin-2-one
SMILESCC(C)(C)C1NC(=O)CCC1N
InChIInChI=1S/C9H18N2O/c1-9(2,3)8-6(10)4-5-7(12)11-8/h6,8H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyUYXSBBSVXALBRA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds

About 5-amino-6-tert-butylpiperidin-2-one

5-amino-6-tert-butylpiperidin-2-one (PubChem CID 122236933) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 5-amino-6-tert-butylpiperidin-2-one.

Molecular Properties

Compound Name5-amino-6-tert-butylpiperidin-2-one
PubChem CID122236933
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name5-amino-6-tert-butylpiperidin-2-one
SMILESCC(C)(C)C1NC(=O)CCC1N
InChIInChI=1S/C9H18N2O/c1-9(2,3)8-6(10)4-5-7(12)11-8/h6,8H,4-5,10H2,1-3H3,(H,11,12)
InChIKeyUYXSBBSVXALBRA-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-amino-6-tert-butylpiperidin-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

5-aminopyrrolidin-2-one
CID 12638466
5-aminopyrrolidin-2-one;hydrochloride
CID 67838433
(5R)-5-aminopyrrolidin-2-one;hydrochloride
CID 67838431
(5R,6S)-6-tert-butyl-5-[(3-ethoxycyclobutyl)amino]piperidin-2-one
CID 136582015
(5S)-5-(2-hydroxypropan-2-yl)pyrrolidin-2-one
CID 55286707
5-amino-6-piperidin-4-ylpiperidin-2-one
CID 119031320
(5S)-5-methylpyrrolidin-2-one
CID 7458701
(2S)-N-(2-amino-2-methylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 103807490
1-[[(2S,3R)-2-tert-butyl-6-oxopiperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122014204
5-(2,2-dimethylpropanoyl)pyrrolidin-2-one
CID 76615275
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
CID 7061092
5-amino-6-(4-propan-2-ylphenyl)piperidin-2-one
CID 64539749

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-tert-butylpiperidin-2-one?
The IUPAC name of 5-amino-6-tert-butylpiperidin-2-one (CID 122236933) is 5-amino-6-tert-butylpiperidin-2-one.
What is the SMILES notation for 5-amino-6-tert-butylpiperidin-2-one?
The canonical SMILES for 5-amino-6-tert-butylpiperidin-2-one is CC(C)(C)C1NC(=O)CCC1N.
What is the InChIKey of 5-amino-6-tert-butylpiperidin-2-one?
The InChIKey is UYXSBBSVXALBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-9(2,3)8-6(10)4-5-7(12)11-8/h6,8H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 5-amino-6-tert-butylpiperidin-2-one?
5-amino-6-tert-butylpiperidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-tert-butylpiperidin-2-one is sourced from PubChem (CID 122236933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).