3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one

C11H17N3O — CID 145176444

IUPAC3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESNC1CCN(Cc2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O/c12-10-3-6-14(7-4-10)8-9-2-1-5-13-11(9)15/h1-2,5,10H,3-4,6-8,12H2,(H,13,15)
InChIKeyYXPLXLDQFWQQJI-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.30
Rot. Bonds2

About 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one

3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one (PubChem CID 145176444) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one
PubChem CID145176444
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one
SMILESNC1CCN(Cc2ccc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O/c12-10-3-6-14(7-4-10)8-9-2-1-5-13-11(9)15/h1-2,5,10H,3-4,6-8,12H2,(H,13,15)
InChIKeyYXPLXLDQFWQQJI-UHFFFAOYSA-N
XLogP0.30
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(piperidin-4-ylmethyl)pyridin-2(1H)-one
CID 44410571
1-(piperidin-3-ylmethyl)pyridin-2(1H)-one
CID 44410533
(4-Aminopiperidin-1-yl)(6-hydroxypyridin-3-yl)methanone
CID 43556202
1-(3-Piperidin-2-ylpropyl)pyridin-2-one
CID 44535154
N-(1-ethylpiperidin-3-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 72048283
6-methyl-N-(1-methylpiperidin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 72048293
1-(Piperidin-4-yl)-1,2-dihydropyridin-2-one dihydrochloride
CID 138991841
Piperidinomethyl pyridone
CID 59117160
4-(Piperidin-1-ylmethyl)pyridin-2-ol
CID 70413111
2-oxo-N-[(2S)-pentan-2-yl]-1H-pyridine-3-carboxamide
CID 30481294
3-(3-piperidin-1-ylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 86287229
3-(3,5-Dimethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 121575874

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one (CID 145176444) is 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one is NC1CCN(Cc2ccc[nH]c2=O)CC1.
What is the InChIKey of 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one?
The InChIKey is YXPLXLDQFWQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-3-6-14(7-4-10)8-9-2-1-5-13-11(9)15/h1-2,5,10H,3-4,6-8,12H2,(H,13,15).
What are the key properties of 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one?
3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminopiperidin-1-yl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 145176444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).