pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

C17H19N3O — CID 110096200

IUPACpyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCCC(Cc2cccnc2)C1
InChIInChI=1S/C17H19N3O/c21-17(16-5-8-18-9-6-16)20-10-2-4-15(13-20)11-14-3-1-7-19-12-14/h1,3,5-9,12,15H,2,4,10-11,13H2
InChIKeyDQBOROYDEUSHLE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.57
Rot. Bonds3

About pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone

pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 110096200) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID110096200
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Namepyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCCC(Cc2cccnc2)C1
InChIInChI=1S/C17H19N3O/c21-17(16-5-8-18-9-6-16)20-10-2-4-15(13-20)11-14-3-1-7-19-12-14/h1,3,5-9,12,15H,2,4,10-11,13H2
InChIKeyDQBOROYDEUSHLE-UHFFFAOYSA-N
XLogP2.57
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817
(2-cyclopropylpyrimidin-5-yl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110103373
2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
(6-pyrazol-1-yl-3-pyridinyl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 125000089
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
(4-methylthiophen-2-yl)-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 124950556
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652412
6-methyl-3-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 125025852

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 110096200) is pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccncc1)N1CCCC(Cc2cccnc2)C1.
What is the InChIKey of pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is DQBOROYDEUSHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(16-5-8-18-9-6-16)20-10-2-4-15(13-20)11-14-3-1-7-19-12-14/h1,3,5-9,12,15H,2,4,10-11,13H2.
What are the key properties of pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 281.36 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110096200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).