2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one

C11H22N2O — CID 43649995

IUPAC2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-3-5-10(12)11(14)13-7-4-6-9(2)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyMNJSVKCARUIKBE-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.37
Rot. Bonds3

About 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one

2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one (PubChem CID 43649995) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
PubChem CID43649995
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
SMILESCCCC(N)C(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-3-5-10(12)11(14)13-7-4-6-9(2)8-13/h9-10H,3-8,12H2,1-2H3
InChIKeyMNJSVKCARUIKBE-UHFFFAOYSA-N
XLogP1.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
2-amino-1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pentan-1-one
CID 119294723
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
(2S)-2-amino-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 61148925
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
3-[1-[(2S)-2-aminopentanoyl]piperidin-3-yl]butanoic acid
CID 103870704
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]pentan-1-one
CID 103796555
1-[(2R)-2-aminopentanoyl]-N-methylpiperidine-3-carboxamide
CID 103796757
1-[(2R)-2-aminopentanoyl]-3-methylpiperidine-4-carboxylic acid
CID 114278530

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one (CID 43649995) is 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one is CCCC(N)C(=O)N1CCCC(C)C1.
What is the InChIKey of 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one?
The InChIKey is MNJSVKCARUIKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-5-10(12)11(14)13-7-4-6-9(2)8-13/h9-10H,3-8,12H2,1-2H3.
What are the key properties of 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one?
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 43649995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).