1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one

C14H21N3O — CID 81487357

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccncc2)CCC1N
InChIInChI=1S/C14H21N3O/c1-11-10-17(9-6-13(11)15)14(18)3-2-12-4-7-16-8-5-12/h4-5,7-8,11,13H,2-3,6,9-10,15H2,1H3
InChIKeyLZJZHMUNPMNHBJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.21
Rot. Bonds3

About 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one

1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one (PubChem CID 81487357) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
PubChem CID81487357
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
SMILESCC1CN(C(=O)CCc2ccncc2)CCC1N
InChIInChI=1S/C14H21N3O/c1-11-10-17(9-6-13(11)15)14(18)3-2-12-4-7-16-8-5-12/h4-5,7-8,11,13H,2-3,6,9-10,15H2,1H3
InChIKeyLZJZHMUNPMNHBJ-UHFFFAOYSA-N
XLogP1.21
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-methylpyrrolidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 103575681
1-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridin-4-ylpropan-1-one;dihydrochloride
CID 119934303
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 107224305
1-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574556
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-[4-(2-imidazol-1-ylethyl)-3-methylpiperidin-1-yl]-3-phenylpropan-1-one
CID 18928687
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
1-[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 124574584
3-(4-ethylphenyl)-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 110749751
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one (CID 81487357) is 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one is CC1CN(C(=O)CCc2ccncc2)CCC1N.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one?
The InChIKey is LZJZHMUNPMNHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-10-17(9-6-13(11)15)14(18)3-2-12-4-7-16-8-5-12/h4-5,7-8,11,13H,2-3,6,9-10,15H2,1H3.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one?
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one has a molecular weight of 247.34 g/mol, XLogP of 1.21, 3 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)-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 81487357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).