1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone

C13H19N3O — CID 79879332

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESCC1CN(C(=O)Cc2cccnc2)CCC1N
InChIInChI=1S/C13H19N3O/c1-10-9-16(6-4-12(10)14)13(17)7-11-3-2-5-15-8-11/h2-3,5,8,10,12H,4,6-7,9,14H2,1H3
InChIKeyMMIFJACUMAWDAB-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.82
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone

1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 79879332) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID79879332
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESCC1CN(C(=O)Cc2cccnc2)CCC1N
InChIInChI=1S/C13H19N3O/c1-10-9-16(6-4-12(10)14)13(17)7-11-3-2-5-15-8-11/h2-3,5,8,10,12H,4,6-7,9,14H2,1H3
InChIKeyMMIFJACUMAWDAB-UHFFFAOYSA-N
XLogP0.82
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 112630744
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 115276739
1-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95845191

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone (CID 79879332) is 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone is CC1CN(C(=O)Cc2cccnc2)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is MMIFJACUMAWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-9-16(6-4-12(10)14)13(17)7-11-3-2-5-15-8-11/h2-3,5,8,10,12H,4,6-7,9,14H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 233.31 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 79879332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).