4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one

C13H19N3O3 — CID 103440801

IUPAC4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
SMILESCC1CCN(C(=O)c2cc(O)[nH]c(=O)c2)C(CN)C1
InChIInChI=1S/C13H19N3O3/c1-8-2-3-16(10(4-8)7-14)13(19)9-5-11(17)15-12(18)6-9/h5-6,8,10H,2-4,7,14H2,1H3,(H2,15,17,18)
InChIKeyMFOMRVMOISGMNF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.28
Rot. Bonds2

About 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one

4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one (PubChem CID 103440801) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
PubChem CID103440801
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one
SMILESCC1CCN(C(=O)c2cc(O)[nH]c(=O)c2)C(CN)C1
InChIInChI=1S/C13H19N3O3/c1-8-2-3-16(10(4-8)7-14)13(19)9-5-11(17)15-12(18)6-9/h5-6,8,10H,2-4,7,14H2,1H3,(H2,15,17,18)
InChIKeyMFOMRVMOISGMNF-UHFFFAOYSA-N
XLogP0.28
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102776148
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 103441207
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(4-bromo-3-methylphenyl)methanone
CID 103440915
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4,6-trifluorophenyl)methanone
CID 103441080
[2-(aminomethyl)-4-methylpiperidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 103440957
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-hydroxy-4-methylphenyl)methanone
CID 103441114
4-(4-amino-3-ethylpiperidine-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 81457773
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 103441015
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone
CID 103440862
[2-(aminomethyl)-4-methylpiperidin-1-yl]-(2-bromo-4-fluorophenyl)methanone
CID 103441258
6-hydroxy-4-(piperazine-1-carbonyl)-1H-pyridin-2-one
CID 24699091
[2-(aminomethyl)-4-methoxypiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705229

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one (CID 103440801) is 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one is CC1CCN(C(=O)c2cc(O)[nH]c(=O)c2)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
The InChIKey is MFOMRVMOISGMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-2-3-16(10(4-8)7-14)13(19)9-5-11(17)15-12(18)6-9/h5-6,8,10H,2-4,7,14H2,1H3,(H2,15,17,18).
What are the key properties of 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one?
4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one has a molecular weight of 265.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-methylpiperidine-1-carbonyl]-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 103440801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).