(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide

C20H21FN2O2 — CID 26396271

IUPAC(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C20H21FN2O2/c1-14(24)23-11-3-5-17(13-23)20(25)22-19-6-2-4-16(12-19)15-7-9-18(21)10-8-15/h2,4,6-10,12,17H,3,5,11,13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyLQUNJYKGOUGBCA-QGZVFWFLSA-N
MW340.40 g/mol
LogP3.69
Rot. Bonds3

About (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide

(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide (PubChem CID 26396271) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
PubChem CID26396271
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1
InChIInChI=1S/C20H21FN2O2/c1-14(24)23-11-3-5-17(13-23)20(25)22-19-6-2-4-16(12-19)15-7-9-18(21)10-8-15/h2,4,6-10,12,17H,3,5,11,13H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyLQUNJYKGOUGBCA-QGZVFWFLSA-N
XLogP3.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42595616
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxamide
CID 25451663
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
(3S)-N-[3-(4-fluorophenyl)phenyl]-1-(6-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 42401368
N-[3-(4-fluorophenyl)phenyl]-1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-3-carboxamide
CID 45195638
(3R)-N-[3-(4-fluorophenyl)phenyl]-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 25385278
1-(cyclopropanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 45236502
(3S)-1-(cyclopentanecarbonyl)-N-[4-(3-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 42567058
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide (CID 26396271) is (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide is CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1.
What is the InChIKey of (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide?
The InChIKey is LQUNJYKGOUGBCA-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-14(24)23-11-3-5-17(13-23)20(25)22-19-6-2-4-16(12-19)15-7-9-18(21)10-8-15/h2,4,6-10,12,17H,3,5,11,13H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide?
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 26396271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).