methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate

C20H19F2NO4 — CID 71883421

IUPACmethyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)c2c(O)cc(F)cc2F)CC1
InChIInChI=1S/C20H19F2NO4/c1-27-19(26)20(13-5-3-2-4-6-13)7-9-23(10-8-20)18(25)17-15(22)11-14(21)12-16(17)24/h2-6,11-12,24H,7-10H2,1H3
InChIKeyQQNCDBZRSFGDNU-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.02
Rot. Bonds3

About methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate

methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate (PubChem CID 71883421) has the molecular formula C20H19F2NO4 and a molecular weight of 375.37 g/mol. Its IUPAC name is methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate
PubChem CID71883421
Molecular FormulaC20H19F2NO4
Molecular Weight375.37 g/mol
Exact Mass375.13
IUPAC Namemethyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate
SMILESCOC(=O)C1(c2ccccc2)CCN(C(=O)c2c(O)cc(F)cc2F)CC1
InChIInChI=1S/C20H19F2NO4/c1-27-19(26)20(13-5-3-2-4-6-13)7-9-23(10-8-20)18(25)17-15(22)11-14(21)12-16(17)24/h2-6,11-12,24H,7-10H2,1H3
InChIKeyQQNCDBZRSFGDNU-UHFFFAOYSA-N
XLogP3.02
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-carbamoyl-4-phenylpiperidine-4-carboxylate
CID 56977637
methyl 1-(2-methylbenzoyl)-4-phenylpiperidine-4-carboxylate
CID 46420789
methyl 1-[2-(4-hydroxyphenyl)acetyl]-4-phenylpiperidine-4-carboxylate
CID 78838423
methyl 4-phenyl-1-(propan-2-ylcarbamoyl)piperidine-4-carboxylate
CID 87012984
methyl 1-[3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362687
(2,4-difluoro-6-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82511555
(2,4-difluoro-6-hydroxyphenyl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 86861764
methyl (3S)-1-[2-fluoro-5-(2-oxoimidazolidin-1-yl)benzoyl]-3-phenylpyrrolidine-3-carboxylate
CID 124882733
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
methyl 1-[4-(imidazol-1-ylmethyl)benzoyl]-4-phenylpiperidine-4-carboxylate
CID 55718655
methyl 1-[6-methyl-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 55513260

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate (CID 71883421) is methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate is COC(=O)C1(c2ccccc2)CCN(C(=O)c2c(O)cc(F)cc2F)CC1.
What is the InChIKey of methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate?
The InChIKey is QQNCDBZRSFGDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4/c1-27-19(26)20(13-5-3-2-4-6-13)7-9-23(10-8-20)18(25)17-15(22)11-14(21)12-16(17)24/h2-6,11-12,24H,7-10H2,1H3.
What are the key properties of methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate?
methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate has a molecular weight of 375.37 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,4-difluoro-6-hydroxybenzoyl)-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 71883421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).