6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide

C23H27FN2O3 — CID 42849481

IUPAC6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3/c1-16(17-6-4-3-5-7-17)25-23(28)19-10-13-21(18-8-11-20(24)12-9-18)26(14-19)22(27)15-29-2/h3-9,11-12,16,19,21H,10,13-15H2,1-2H3,(H,25,28)
InChIKeyABGQFCQLSNPFMK-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.63
Rot. Bonds6

About 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide

6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 42849481) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID42849481
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C23H27FN2O3/c1-16(17-6-4-3-5-7-17)25-23(28)19-10-13-21(18-8-11-20(24)12-9-18)26(14-19)22(27)15-29-2/h3-9,11-12,16,19,21H,10,13-15H2,1-2H3,(H,25,28)
InChIKeyABGQFCQLSNPFMK-UHFFFAOYSA-N
XLogP3.63
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 46041424
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 42849482
1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849427
N-cyclopropyl-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42849448
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 46041495
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93291208
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide (CID 42849481) is 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide is COCC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is ABGQFCQLSNPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-16(17-6-4-3-5-7-17)25-23(28)19-10-13-21(18-8-11-20(24)12-9-18)26(14-19)22(27)15-29-2/h3-9,11-12,16,19,21H,10,13-15H2,1-2H3,(H,25,28).
What are the key properties of 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide?
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42849481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).