1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

C23H28FN3O3 — CID 42866482

IUPAC1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)Nc2ccc(OC)cc2)CCC1c1ccc(F)c(C)c1
InChIInChI=1S/C23H28FN3O3/c1-4-25-23(29)27-14-17(22(28)26-18-7-9-19(30-3)10-8-18)6-12-21(27)16-5-11-20(24)15(2)13-16/h5,7-11,13,17,21H,4,6,12,14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyVGJYLIZWRLOFDM-UHFFFAOYSA-N
MW413.49 g/mol
LogP4.26
Rot. Bonds5

About 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide

1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (PubChem CID 42866482) has the molecular formula C23H28FN3O3 and a molecular weight of 413.49 g/mol. Its IUPAC name is 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
PubChem CID42866482
Molecular FormulaC23H28FN3O3
Molecular Weight413.49 g/mol
Exact Mass413.21
IUPAC Name1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
SMILESCCNC(=O)N1CC(C(=O)Nc2ccc(OC)cc2)CCC1c1ccc(F)c(C)c1
InChIInChI=1S/C23H28FN3O3/c1-4-25-23(29)27-14-17(22(28)26-18-7-9-19(30-3)10-8-18)6-12-21(27)16-5-11-20(24)15(2)13-16/h5,7-11,13,17,21H,4,6,12,14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyVGJYLIZWRLOFDM-UHFFFAOYSA-N
XLogP4.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 46067468
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
(3R,6S)-3-N-[(2S)-butan-2-yl]-1-N-ethyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 100900934
1-acetyl-6-(4-fluoro-3-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxamide
CID 46067533
(3R,6R)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996997
1-N-butyl-6-(4-fluoro-3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46067622
(3R,5R)-1-N-butyl-5-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 92997182
5-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 42866558
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42865313
(3S,6S)-1-(cyclopropanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996779
1-N-butyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 42866470

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide (CID 42866482) is 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is CCNC(=O)N1CC(C(=O)Nc2ccc(OC)cc2)CCC1c1ccc(F)c(C)c1.
What is the InChIKey of 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is VGJYLIZWRLOFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O3/c1-4-25-23(29)27-14-17(22(28)26-18-7-9-19(30-3)10-8-18)6-12-21(27)16-5-11-20(24)15(2)13-16/h5,7-11,13,17,21H,4,6,12,14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide?
1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 413.49 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42866482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).