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

C11H22N2O — CID 155783343

IUPAC2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-10(12)11(14)9-5-7-13(2)8-6-9/h9-10H,3-8,12H2,1-2H3
InChIKeyYRPBQGFAZBVZJK-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.02
Rot. Bonds4

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

2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one (PubChem CID 155783343) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
PubChem CID155783343
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
SMILESCCCC(N)C(=O)C1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-3-4-10(12)11(14)9-5-7-13(2)8-6-9/h9-10H,3-8,12H2,1-2H3
InChIKeyYRPBQGFAZBVZJK-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

2-amino-1-(oxan-4-yl)pentan-1-one
CID 116554596
2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 94166116
2-amino-1-cyclopropylhexan-1-one
CID 116556854
3-amino-2-methyl-1-(1-methylpyrrolidin-3-yl)propan-1-one
CID 116915570
methyl 2-fluoro-3-(1-methylpiperidin-4-yl)-3-oxopropanoate
CID 105470836
4-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 116916278
1-[(2R)-2-aminopentanoyl]pyrrolidine-3-carboxylic acid
CID 103848580
2-chloro-1-(1-methylpiperidin-4-yl)propan-1-one
CID 116863811
3-amino-4-(1-methylpiperidin-3-yl)-4-oxobutanoic acid
CID 116920779
methyl 2-amino-4-(1-methylpiperidin-4-yl)butanoate
CID 76818290
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one (CID 155783343) is 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one is CCCC(N)C(=O)C1CCN(C)CC1.
What is the InChIKey of 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
The InChIKey is YRPBQGFAZBVZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-4-10(12)11(14)9-5-7-13(2)8-6-9/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one?
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-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 2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one is sourced from PubChem (CID 155783343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).