1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone

C24H29FN2O2 — CID 92616693

IUPAC1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
SMILESO=C(C[C@H]1CCCCO1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C24H29FN2O2/c25-22-7-2-1-5-20(22)15-18-8-9-23(26-17-18)19-10-12-27(13-11-19)24(28)16-21-6-3-4-14-29-21/h1-2,5,7-9,17,19,21H,3-4,6,10-16H2/t21-/m1/s1
InChIKeyPTVGEZGDSSLHAK-OAQYLSRUSA-N
MW396.51 g/mol
LogP4.48
Rot. Bonds5

About 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone

1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone (PubChem CID 92616693) has the molecular formula C24H29FN2O2 and a molecular weight of 396.51 g/mol. Its IUPAC name is 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
PubChem CID92616693
Molecular FormulaC24H29FN2O2
Molecular Weight396.51 g/mol
Exact Mass396.22
IUPAC Name1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone
SMILESO=C(C[C@H]1CCCCO1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1
InChIInChI=1S/C24H29FN2O2/c25-22-7-2-1-5-20(22)15-18-8-9-23(26-17-18)19-10-12-27(13-11-19)24(28)16-21-6-3-4-14-29-21/h1-2,5,7-9,17,19,21H,3-4,6,10-16H2/t21-/m1/s1
InChIKeyPTVGEZGDSSLHAK-OAQYLSRUSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone with MolForge

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Related Compounds

3-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 92616486
[(1R)-3,4-dimethylcyclohex-3-en-1-yl]-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]methanone
CID 124968009
[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 92616651
1-[4-[3-(2-fluorophenyl)propyl]piperazin-1-yl]-2-(oxan-2-yl)ethanone
CID 110608652
2-(4-fluorophenyl)-1-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]ethanone
CID 127250154
1-[4-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(oxan-2-yl)ethanone
CID 110263692
(5S)-5-[2-[4-[5-[(2-methylphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]-3-propylimidazolidine-2,4-dione
CID 92616680
N,N-diethyl-4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 92616479
6-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridine-3-carboxamide
CID 92637019
N-(2-fluorophenyl)-2-[2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]morpholin-4-yl]acetamide
CID 127250139
(2R)-2-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]-4-pyrimidin-2-ylmorpholine
CID 124943851
2-(oxan-2-yl)-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110628471

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?
The IUPAC name of 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone (CID 92616693) is 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone.
What is the SMILES notation for 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?
The canonical SMILES for 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone is O=C(C[C@H]1CCCCO1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1.
What is the InChIKey of 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?
The InChIKey is PTVGEZGDSSLHAK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29FN2O2/c25-22-7-2-1-5-20(22)15-18-8-9-23(26-17-18)19-10-12-27(13-11-19)24(28)16-21-6-3-4-14-29-21/h1-2,5,7-9,17,19,21H,3-4,6,10-16H2/t21-/m1/s1.
What are the key properties of 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone?
1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone has a molecular weight of 396.51 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[(2-fluorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-[(2R)-oxan-2-yl]ethanone is sourced from PubChem (CID 92616693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).