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

C18H24F2N2O — CID 175652412

IUPAC(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(Cc2cccnc2)C1
InChIInChI=1S/C18H24F2N2O/c19-18(20)7-5-16(6-8-18)17(23)22-10-2-4-15(13-22)11-14-3-1-9-21-12-14/h1,3,9,12,15-16H,2,4-8,10-11,13H2
InChIKeyMZQIWWMXIGDZMG-UHFFFAOYSA-N
MW322.40 g/mol
LogP3.69
Rot. Bonds3

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

(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (PubChem CID 175652412) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
PubChem CID175652412
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCCC(Cc2cccnc2)C1
InChIInChI=1S/C18H24F2N2O/c19-18(20)7-5-16(6-8-18)17(23)22-10-2-4-15(13-22)11-14-3-1-9-21-12-14/h1,3,9,12,15-16H,2,4-8,10-11,13H2
InChIKeyMZQIWWMXIGDZMG-UHFFFAOYSA-N
XLogP3.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-1-[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]ethanone
CID 95841872
pyridin-4-yl-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 110096200
2-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124995664
1,3-oxazol-5-yl-[(3S)-3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 95846143
[1-(4-methoxyphenyl)cyclopropyl]-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 175652422
[(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
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 125009158
(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
(4,4-difluorocyclohexyl)-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113321
2-(4-fluorophenyl)-1-[4-methyl-4-[(3R)-3-(pyridin-3-ylmethyl)piperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 124977722
4-(3-benzylpiperidine-1-carbonyl)piperidin-2-one
CID 136514886

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone (CID 175652412) is (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCC(F)(F)CC1)N1CCCC(Cc2cccnc2)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is MZQIWWMXIGDZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c19-18(20)7-5-16(6-8-18)17(23)22-10-2-4-15(13-22)11-14-3-1-9-21-12-14/h1,3,9,12,15-16H,2,4-8,10-11,13H2.
What are the key properties of (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone?
(4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 322.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175652412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).