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

C11H20N2O — CID 104679988

IUPAC1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(N)C2CC2)C1=O
InChIInChI=1S/C11H20N2O/c1-8-3-2-6-13(11(8)14)7-10(12)9-4-5-9/h8-10H,2-7,12H2,1H3
InChIKeyMOICJDBHFYLBOT-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.98
Rot. Bonds3

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

1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one (PubChem CID 104679988) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one.

Molecular Properties

Compound Name1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
PubChem CID104679988
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one
SMILESCC1CCCN(CC(N)C2CC2)C1=O
InChIInChI=1S/C11H20N2O/c1-8-3-2-6-13(11(8)14)7-10(12)9-4-5-9/h8-10H,2-7,12H2,1H3
InChIKeyMOICJDBHFYLBOT-UHFFFAOYSA-N
XLogP0.98
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(3-methyl-2-oxopiperidin-1-yl)propanoic acid
CID 104679872
1-(2-amino-3-methylpentyl)-3-methylpiperidin-2-one
CID 104679974
1-[2-(bromomethyl)pentyl]-3-methylpiperidin-2-one
CID 104679909
1-[2-cyclopentyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748207
1-[2-cyclohexyl-2-(methylamino)ethyl]-3-methylpiperidin-2-one
CID 104748210
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylpiperidin-2-one
CID 104679979
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680027
(3R)-1-(cyclopropylmethyl)-3-methylpiperidin-2-one
CID 163890114
1-[2-amino-2-(2-methoxyphenyl)ethyl]-3-methylpiperidin-2-one
CID 104680024
2-(2-amino-2-cyclopropylethyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79941088
3-methyl-1-[2-(propylamino)pentyl]piperidin-2-one
CID 104680008
1-[2-(aminomethyl)prop-2-enyl]-3-methylpiperidin-2-one
CID 103073008

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one?
The IUPAC name of 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one (CID 104679988) is 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one.
What is the SMILES notation for 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one?
The canonical SMILES for 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one is CC1CCCN(CC(N)C2CC2)C1=O.
What is the InChIKey of 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one?
The InChIKey is MOICJDBHFYLBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8-3-2-6-13(11(8)14)7-10(12)9-4-5-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one?
1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one has a molecular weight of 196.29 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 1-(2-amino-2-cyclopropylethyl)-3-methylpiperidin-2-one is sourced from PubChem (CID 104679988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).