[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

C24H29FN2O2 — CID 124986057

IUPAC[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](Cc2ccccn2)C1)C1(Cc2ccccc2F)CCOCC1
InChIInChI=1S/C24H29FN2O2/c25-22-9-2-1-7-20(22)17-24(10-14-29-15-11-24)23(28)27-13-5-6-19(18-27)16-21-8-3-4-12-26-21/h1-4,7-9,12,19H,5-6,10-11,13-18H2/t19-/m0/s1
InChIKeyNVYHHRSIDSPLEB-IBGZPJMESA-N
MW396.51 g/mol
LogP4.04
Rot. Bonds5

About [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone

[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124986057) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
PubChem CID124986057
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(N1CCC[C@@H](Cc2ccccn2)C1)C1(Cc2ccccc2F)CCOCC1
InChIInChI=1S/C24H29FN2O2/c25-22-9-2-1-7-20(22)17-24(10-14-29-15-11-24)23(28)27-13-5-6-19(18-27)16-21-8-3-4-12-26-21/h1-4,7-9,12,19H,5-6,10-11,13-18H2/t19-/m0/s1
InChIKeyNVYHHRSIDSPLEB-IBGZPJMESA-N
XLogP4.04
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(4S)-4-(quinolin-3-ylmethyl)azepan-1-yl]methanone
CID 129455337
[4-[(2-fluorophenyl)methyl]-1-methylpiperidin-4-yl]-[3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]methanone
CID 110148859
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
(1-aminocyclopentyl)-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 171325435
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 155986729
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
[(6R)-6-(1-benzofuran-4-ylmethyl)-1,4-oxazepan-4-yl]-[4-[(2-fluorophenyl)methyl]oxan-4-yl]methanone
CID 129454505
(4-benzyloxan-4-yl)-[4-(quinolin-8-ylmethyl)azepan-1-yl]methanone
CID 155984339
2-(4-fluorophenoxy)-1-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 124995942
(2-cyclopropylpyrimidin-5-yl)-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 125026604
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]methanone
CID 110148840

Frequently Asked Questions

What is the IUPAC name of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone (CID 124986057) is [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is O=C(N1CCC[C@@H](Cc2ccccn2)C1)C1(Cc2ccccc2F)CCOCC1.
What is the InChIKey of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is NVYHHRSIDSPLEB-IBGZPJMESA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-22-9-2-1-7-20(22)17-24(10-14-29-15-11-24)23(28)27-13-5-6-19(18-27)16-21-8-3-4-12-26-21/h1-4,7-9,12,19H,5-6,10-11,13-18H2/t19-/m0/s1.
What are the key properties of [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone?
[4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 396.51 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-fluorophenyl)methyl]oxan-4-yl]-[(3S)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124986057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).