[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone

C21H25FN2O2 — CID 126423940

IUPAC[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ncccc2F)cc1
InChIInChI=1S/C21H25FN2O2/c1-26-15-5-7-18-6-2-3-14-24(18)21(25)17-11-9-16(10-12-17)20-19(22)8-4-13-23-20/h4,8-13,18H,2-3,5-7,14-15H2,1H3/t18-/m1/s1
InChIKeyUVFLUIUTOILQPS-GOSISDBHSA-N
MW356.44 g/mol
LogP4.31
Rot. Bonds6

About [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone

[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone (PubChem CID 126423940) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
PubChem CID126423940
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC Name[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
SMILESCOCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ncccc2F)cc1
InChIInChI=1S/C21H25FN2O2/c1-26-15-5-7-18-6-2-3-14-24(18)21(25)17-11-9-16(10-12-17)20-19(22)8-4-13-23-20/h4,8-13,18H,2-3,5-7,14-15H2,1H3/t18-/m1/s1
InChIKeyUVFLUIUTOILQPS-GOSISDBHSA-N
XLogP4.31
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 96579719
[(2R)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425707
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-[4-(1-methylimidazol-2-yl)phenyl]methanone
CID 126425708
(3-fluoro-4-methylphenyl)-[(2S)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96575750
[4-(4-methoxyphenoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 131946602
2,1,3-benzoxadiazol-5-yl-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 97147736
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70756992
[3-(2-fluorophenyl)-1H-pyrazol-5-yl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 96577939
[(2R)-2-(2-methoxyethyl)piperidin-1-yl]-[4-(2-methyl-5-propylpyrimidin-4-yl)phenyl]methanone
CID 126431087
[(2S)-2-(3-methoxypropyl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 96576442
7-[(2R)-2-(3-methoxypropyl)piperidine-1-carbonyl]-3-methylquinazolin-4-one
CID 97144465
[2-(difluoromethoxy)phenyl]-[2-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70741469

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The IUPAC name of [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone (CID 126423940) is [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone is COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2ncccc2F)cc1.
What is the InChIKey of [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
The InChIKey is UVFLUIUTOILQPS-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25FN2O2/c1-26-15-5-7-18-6-2-3-14-24(18)21(25)17-11-9-16(10-12-17)20-19(22)8-4-13-23-20/h4,8-13,18H,2-3,5-7,14-15H2,1H3/t18-/m1/s1.
What are the key properties of [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone?
[4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone has a molecular weight of 356.44 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-2-pyridinyl)phenyl]-[(2R)-2-(3-methoxypropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 126423940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).