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

C14H21N3O2 — CID 103793684

IUPAC4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(N)C1CCCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C14H21N3O2/c1-10(15)12-4-3-6-17(9-12)14(19)11-5-7-16(2)13(18)8-11/h5,7-8,10,12H,3-4,6,9,15H2,1-2H3
InChIKeyKOMCPFVTAZWZIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.58
Rot. Bonds2

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

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 103793684) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID103793684
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCC(N)C1CCCN(C(=O)c2ccn(C)c(=O)c2)C1
InChIInChI=1S/C14H21N3O2/c1-10(15)12-4-3-6-17(9-12)14(19)11-5-7-16(2)13(18)8-11/h5,7-8,10,12H,3-4,6,9,15H2,1-2H3
InChIKeyKOMCPFVTAZWZIB-UHFFFAOYSA-N
XLogP0.58
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(aminomethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 103793640
4-(3-methoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113231198
[3-(1-aminoethyl)piperidin-1-yl]-(3-bromo-4-fluorophenyl)methanone
CID 86813854
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
[3-(1-aminoethyl)piperidin-1-yl]-(3-chloro-4-fluorophenyl)methanone
CID 82879665
4-(3-ethoxypiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 47736704
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(3-fluoro-4-pyrrolidin-1-ylphenyl)methanone
CID 124592263
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone
CID 124592361
4-(4-amino-3-methylpiperidine-1-carbonyl)-1-methylpyridin-2-one
CID 113263748
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119595940

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 103793684) is 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is CC(N)C1CCCN(C(=O)c2ccn(C)c(=O)c2)C1.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is KOMCPFVTAZWZIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(15)12-4-3-6-17(9-12)14(19)11-5-7-16(2)13(18)8-11/h5,7-8,10,12H,3-4,6,9,15H2,1-2H3.
What are the key properties of 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 263.34 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 103793684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).