6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

C22H24F2N2O3 — CID 42849482

IUPAC6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NCc2cccc(F)c2)CCC1c1ccc(F)cc1
InChIInChI=1S/C22H24F2N2O3/c1-29-14-21(27)26-13-17(7-10-20(26)16-5-8-18(23)9-6-16)22(28)25-12-15-3-2-4-19(24)11-15/h2-6,8-9,11,17,20H,7,10,12-14H2,1H3,(H,25,28)
InChIKeyJXTRYRSYEAYJRG-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.21
Rot. Bonds6

About 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide

6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (PubChem CID 42849482) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
PubChem CID42849482
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
SMILESCOCC(=O)N1CC(C(=O)NCc2cccc(F)c2)CCC1c1ccc(F)cc1
InChIInChI=1S/C22H24F2N2O3/c1-29-14-21(27)26-13-17(7-10-20(26)16-5-8-18(23)9-6-16)22(28)25-12-15-3-2-4-19(24)11-15/h2-6,8-9,11,17,20H,7,10,12-14H2,1H3,(H,25,28)
InChIKeyJXTRYRSYEAYJRG-UHFFFAOYSA-N
XLogP3.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46065283
N-[(3-fluorophenyl)methyl]-6-phenyl-1-(2-thiophen-2-ylacetyl)piperidine-3-carboxamide
CID 46071643
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 46041479
(3R,6S)-1-(cyclopropanecarbonyl)-6-(4-fluorophenyl)-N-(2-methoxyethyl)piperidine-3-carboxamide
CID 93291208
N-cyclopropyl-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42849448
(3S,6R)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 92996775
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356
1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 46041651
(3S)-1-ethylsulfonyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94785162
1-(3-fluorobenzoyl)-N-(2-methoxyethyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 46041560

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The IUPAC name of 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide (CID 42849482) is 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is COCC(=O)N1CC(C(=O)NCc2cccc(F)c2)CCC1c1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
The InChIKey is JXTRYRSYEAYJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-29-14-21(27)26-13-17(7-10-20(26)16-5-8-18(23)9-6-16)22(28)25-12-15-3-2-4-19(24)11-15/h2-6,8-9,11,17,20H,7,10,12-14H2,1H3,(H,25,28).
What are the key properties of 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide?
6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(3-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 42849482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).