(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide

C20H23FN2O2 — CID 93223962

IUPAC(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-8-10-17(11-9-15)22-20(24)23-12-4-6-18(13-23)25-14-16-5-2-3-7-19(16)21/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyXUOOMTOWEQNJMO-SFHVURJKSA-N
MW342.41 g/mol
LogP4.35
Rot. Bonds4

About (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide

(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 93223962) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID93223962
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1
InChIInChI=1S/C20H23FN2O2/c1-15-8-10-17(11-9-15)22-20(24)23-12-4-6-18(13-23)25-14-16-5-2-3-7-19(16)21/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,22,24)/t18-/m0/s1
InChIKeyXUOOMTOWEQNJMO-SFHVURJKSA-N
XLogP4.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93224041
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 46029181
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
1,3-benzodioxol-5-yl-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844104
N-(4-methylphenyl)-3-(phenylmethoxymethyl)piperidine-1-carboxamide
CID 90505534

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide (CID 93223962) is (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC[C@H](OCc3ccccc3F)C2)cc1.
What is the InChIKey of (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is XUOOMTOWEQNJMO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-15-8-10-17(11-9-15)22-20(24)23-12-4-6-18(13-23)25-14-16-5-2-3-7-19(16)21/h2-3,5,7-11,18H,4,6,12-14H2,1H3,(H,22,24)/t18-/m0/s1.
What are the key properties of (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide?
(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 93223962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).