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

C9H18N2O — CID 43367864

IUPAC1-(3-amino-2-methylpropyl)piperidin-2-one
SMILESCC(CN)CN1CCCCC1=O
InChIInChI=1S/C9H18N2O/c1-8(6-10)7-11-5-3-2-4-9(11)12/h8H,2-7,10H2,1H3
InChIKeyQLGKNPDDRITOQZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.59
Rot. Bonds3

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

1-(3-amino-2-methylpropyl)piperidin-2-one (PubChem CID 43367864) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)piperidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)piperidin-2-one
PubChem CID43367864
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-(3-amino-2-methylpropyl)piperidin-2-one
SMILESCC(CN)CN1CCCCC1=O
InChIInChI=1S/C9H18N2O/c1-8(6-10)7-11-5-3-2-4-9(11)12/h8H,2-7,10H2,1H3
InChIKeyQLGKNPDDRITOQZ-UHFFFAOYSA-N
XLogP0.59
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-methyl-3-(2-oxoazocan-1-yl)propanethioamide
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1-(3-amino-2-phenylpropyl)piperidin-2-one
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1-[2-(bromomethyl)-3-methylbutyl]piperidin-2-one
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1-[2-amino-2-(4-propan-2-ylphenyl)ethyl]piperidin-2-one
CID 43212281
1-(3-methyl-2-sulfanylbutyl)pyrrolidin-2-one
CID 141416665
1-(3-amino-2-methylpropyl)imidazolidin-2-one
CID 62666382
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-(chloromethyl)azonan-2-one
CID 23348579
1-(5-hydroxy-4-methylpentyl)piperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)piperidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)piperidin-2-one (CID 43367864) is 1-(3-amino-2-methylpropyl)piperidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)piperidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)piperidin-2-one is CC(CN)CN1CCCCC1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)piperidin-2-one?
The InChIKey is QLGKNPDDRITOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(6-10)7-11-5-3-2-4-9(11)12/h8H,2-7,10H2,1H3.
What are the key properties of 1-(3-amino-2-methylpropyl)piperidin-2-one?
1-(3-amino-2-methylpropyl)piperidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)piperidin-2-one is sourced from PubChem (CID 43367864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).