(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide

C19H20F2N2O2 — CID 93224041

IUPAC(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC[C@@H](OCc2cccc(F)c2F)C1
InChIInChI=1S/C19H20F2N2O2/c20-17-10-4-6-14(18(17)21)13-25-16-9-5-11-23(12-16)19(24)22-15-7-2-1-3-8-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,22,24)/t16-/m1/s1
InChIKeyXVIXCKIKSWVEIW-MRXNPFEDSA-N
MW346.38 g/mol
LogP4.18
Rot. Bonds4

About (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide

(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide (PubChem CID 93224041) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
PubChem CID93224041
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCC[C@@H](OCc2cccc(F)c2F)C1
InChIInChI=1S/C19H20F2N2O2/c20-17-10-4-6-14(18(17)21)13-25-16-9-5-11-23(12-16)19(24)22-15-7-2-1-3-8-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,22,24)/t16-/m1/s1
InChIKeyXVIXCKIKSWVEIW-MRXNPFEDSA-N
XLogP4.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(2-fluorophenyl)methoxy]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 93223962
3-[(2,5-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 46029181
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(3S)-3-[(4-methylphenyl)methoxy]-N-phenylpiperidine-1-carboxamide
CID 93223987
N-phenyl-3-prop-2-enoxypiperidine-1-carboxamide
CID 42656426
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
3-ethoxy-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 47073858
(3-fluorophenyl)-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 46028680
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
(3R)-N-(3-chlorophenyl)-3-[(3-fluorophenyl)methoxy]piperidine-1-carboxamide
CID 93224006
(2,3-difluorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 62662335

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide (CID 93224041) is (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide is O=C(Nc1ccccc1)N1CCC[C@@H](OCc2cccc(F)c2F)C1.
What is the InChIKey of (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
The InChIKey is XVIXCKIKSWVEIW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-17-10-4-6-14(18(17)21)13-25-16-9-5-11-23(12-16)19(24)22-15-7-2-1-3-8-15/h1-4,6-8,10,16H,5,9,11-13H2,(H,22,24)/t16-/m1/s1.
What are the key properties of (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide?
(3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide has a molecular weight of 346.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2,3-difluorophenyl)methoxy]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 93224041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).