(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide

C20H23FN2O2 — CID 126806042

IUPAC(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-22(18-9-7-17(21)8-10-18)20(25)23-12-11-19(16(13-23)14-24)15-5-3-2-4-6-15/h2-10,16,19,24H,11-14H2,1H3/t16-,19+/m1/s1
InChIKeyZAWMYDLMNMSLFV-APWZRJJASA-N
MW342.41 g/mol
LogP3.48
Rot. Bonds3

About (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide

(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide (PubChem CID 126806042) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide
PubChem CID126806042
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide
SMILESCN(C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O2/c1-22(18-9-7-17(21)8-10-18)20(25)23-12-11-19(16(13-23)14-24)15-5-3-2-4-6-15/h2-10,16,19,24H,11-14H2,1H3/t16-,19+/m1/s1
InChIKeyZAWMYDLMNMSLFV-APWZRJJASA-N
XLogP3.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(4-fluorophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81121086
3-(hydroxymethyl)-4-(4-hydroxyphenyl)piperidine-1-carboxylic acid
CID 141028358
prop-2-enyl (3R,4S)-4-(4-fluorophenyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 11011830
[4-(3-fluorophenyl)oxan-4-yl]-[(3R,4R)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methanone
CID 126797777
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
3-amino-4-phenylpiperidine-1-carboxylic acid
CID 77267907
2,2,2-trifluoro-1-[(3S,4S)-4-(hydroxymethyl)-3-phenylpiperidin-1-yl]ethanone
CID 59178499
1-[3-amino-4-(4-fluorophenyl)piperidin-1-yl]propan-1-one
CID 165441048
N-(4-fluorophenyl)-4-(methanesulfonamidomethyl)-N-methylpiperidine-1-carboxamide
CID 126797872
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)-2-methylbutan-1-one
CID 120502202
N,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 108990934

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide (CID 126806042) is (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide is CN(C(=O)N1CC[C@@H](c2ccccc2)[C@@H](CO)C1)c1ccc(F)cc1.
What is the InChIKey of (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide?
The InChIKey is ZAWMYDLMNMSLFV-APWZRJJASA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-22(18-9-7-17(21)8-10-18)20(25)23-12-11-19(16(13-23)14-24)15-5-3-2-4-6-15/h2-10,16,19,24H,11-14H2,1H3/t16-,19+/m1/s1.
What are the key properties of (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide?
(3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide has a molecular weight of 342.41 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-(4-fluorophenyl)-3-(hydroxymethyl)-N-methyl-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 126806042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).