5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one

C11H22N2O — CID 116940794

IUPAC5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
SMILESCC(=O)CCC(N)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-9(14)3-4-11(12)10-5-7-13(2)8-6-10/h10-11H,3-8,12H2,1-2H3
InChIKeyRLLKZXNQKCLUMD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds4

About 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one

5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one (PubChem CID 116940794) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
PubChem CID116940794
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one
SMILESCC(=O)CCC(N)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-9(14)3-4-11(12)10-5-7-13(2)8-6-10/h10-11H,3-8,12H2,1-2H3
InChIKeyRLLKZXNQKCLUMD-UHFFFAOYSA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 116933024
(4S)-4-amino-4-cyclopropylbutanoic acid
CID 55291872
2-[(1-methylpiperidin-4-yl)methyl]-8-oxononanamide
CID 140528436
3-amino-N,N-dimethyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850366
3-amino-N-methyl-3-(1-methylpyrrolidin-3-yl)propanamide
CID 116850731
methyl (4R)-4-amino-4-cyclopropylbutanoate
CID 169118998
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343
4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 116916278
(4R)-4-amino-4-cyclobutylbutanoic acid
CID 55293658
3-amino-2-methyl-3-(1-methylpiperidin-4-yl)propanoic acid
CID 116938112
2-(azepan-1-yl)-1-(1-methylpiperidin-4-yl)ethanamine
CID 117238621

Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one?
The IUPAC name of 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one (CID 116940794) is 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one.
What is the SMILES notation for 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one?
The canonical SMILES for 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one is CC(=O)CCC(N)C1CCN(C)CC1.
What is the InChIKey of 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one?
The InChIKey is RLLKZXNQKCLUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(14)3-4-11(12)10-5-7-13(2)8-6-10/h10-11H,3-8,12H2,1-2H3.
What are the key properties of 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one?
5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one has a molecular weight of 198.31 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(1-methylpiperidin-4-yl)pentan-2-one is sourced from PubChem (CID 116940794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).