4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C13H19N3O2 — CID 103793640

IUPAC4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC(CN)C2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-15-6-4-11(7-12(15)17)13(18)16-5-2-3-10(8-14)9-16/h4,6-7,10H,2-3,5,8-9,14H2,1H3
InChIKeyWJDQXZRFIIICDE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.20
Rot. Bonds2

About 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 103793640) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID103793640
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1ccc(C(=O)N2CCCC(CN)C2)cc1=O
InChIInChI=1S/C13H19N3O2/c1-15-6-4-11(7-12(15)17)13(18)16-5-2-3-10(8-14)9-16/h4,6-7,10H,2-3,5,8-9,14H2,1H3
InChIKeyWJDQXZRFIIICDE-UHFFFAOYSA-N
XLogP0.20
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793684
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
[3-(aminomethyl)piperidin-1-yl]-(6-bromonaphthalen-2-yl)methanone
CID 115354200
[3-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701234
2-[1-(1-methyl-2-oxopyridine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64605969
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
[3-(aminomethyl)piperidin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 119465103
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
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
4-[(3S)-3-(2,5-difluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 99833065

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 103793640) is 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1ccc(C(=O)N2CCCC(CN)C2)cc1=O.
What is the InChIKey of 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is WJDQXZRFIIICDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-4-11(7-12(15)17)13(18)16-5-2-3-10(8-14)9-16/h4,6-7,10H,2-3,5,8-9,14H2,1H3.
What are the key properties of 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 103793640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).