1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

C15H23N3O — CID 78981202

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCNCC1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C15H23N3O/c1-16-10-14-5-3-9-18(12-14)15(19)7-6-13-4-2-8-17-11-13/h2,4,8,11,14,16H,3,5-7,9-10,12H2,1H3
InChIKeyILHRAXVVCNYZCB-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.47
Rot. Bonds5

About 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 78981202) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID78981202
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESCNCC1CCCN(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C15H23N3O/c1-16-10-14-5-3-9-18(12-14)15(19)7-6-13-4-2-8-17-11-13/h2,4,8,11,14,16H,3,5-7,9-10,12H2,1H3
InChIKeyILHRAXVVCNYZCB-UHFFFAOYSA-N
XLogP1.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one 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-[3-(methylaminomethyl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 62691421
1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 70742706
N-[1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]acetamide
CID 75461375
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119260619
1-[4-(methylamino)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 175657779
3-(2-methylpyrazol-3-yl)-1-[3-(pyridin-3-ylmethyl)piperidin-1-yl]propan-1-one
CID 118740370
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 115746441
N-methyl-1-[1-(2-pyridin-3-ylethyl)piperidin-3-yl]methanamine;dihydrochloride
CID 119914710
1-[3-(ethoxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutan-1-one
CID 110610379
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 125012670

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 78981202) is 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is CNCC1CCCN(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is ILHRAXVVCNYZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-16-10-14-5-3-9-18(12-14)15(19)7-6-13-4-2-8-17-11-13/h2,4,8,11,14,16H,3,5-7,9-10,12H2,1H3.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 78981202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).