4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one

C13H19N3O2 — CID 113263748

IUPAC4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCC1CN(C(=O)c2ccn(C)c(=O)c2)CCC1N
InChIInChI=1S/C13H19N3O2/c1-9-8-16(6-4-11(9)14)13(18)10-3-5-15(2)12(17)7-10/h3,5,7,9,11H,4,6,8,14H2,1-2H3
InChIKeyNFVQBSXGVXCQHO-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.19
Rot. Bonds1

About 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one

4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one (PubChem CID 113263748) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
PubChem CID113263748
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
SMILESCC1CN(C(=O)c2ccn(C)c(=O)c2)CCC1N
InChIInChI=1S/C13H19N3O2/c1-9-8-16(6-4-11(9)14)13(18)10-3-5-15(2)12(17)7-10/h3,5,7,9,11H,4,6,8,14H2,1-2H3
InChIKeyNFVQBSXGVXCQHO-UHFFFAOYSA-N
XLogP0.19
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3-methylpiperidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727567
4-[(3S,4R)-3,4-dihydroxypyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 79411364
4-[3-(diethylamino)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
CID 103709456
1-methyl-4-[4-(methylamino)piperidine-1-carbonyl]pyridin-2-one
CID 113263745
(4-amino-3-methylpiperidin-1-yl)-(3-iodophenyl)methanone
CID 79879651
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
(4-amino-3-methylpiperidin-1-yl)-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 119592466
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone
CID 79879858
6-(4-amino-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711641
(4-amino-3-methylpiperidin-1-yl)-(4-tert-butylphenyl)methanone;hydrochloride
CID 119592537

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one?
The IUPAC name of 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one (CID 113263748) is 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one.
What is the SMILES notation for 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one?
The canonical SMILES for 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one is CC1CN(C(=O)c2ccn(C)c(=O)c2)CCC1N.
What is the InChIKey of 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one?
The InChIKey is NFVQBSXGVXCQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-8-16(6-4-11(9)14)13(18)10-3-5-15(2)12(17)7-10/h3,5,7,9,11H,4,6,8,14H2,1-2H3.
What are the key properties of 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one?
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one is sourced from PubChem (CID 113263748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).