1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide

C25H32FN3O2 — CID 46041648

IUPAC1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCCCCNC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C25H32FN3O2/c1-3-4-16-27-25(31)29-17-21(12-15-23(29)20-10-13-22(26)14-11-20)24(30)28-18(2)19-8-6-5-7-9-19/h5-11,13-14,18,21,23H,3-4,12,15-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRYTWGYVPNQYVKC-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.97
Rot. Bonds7

About 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide

1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide (PubChem CID 46041648) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
PubChem CID46041648
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
SMILESCCCCNC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C25H32FN3O2/c1-3-4-16-27-25(31)29-17-21(12-15-23(29)20-10-13-22(26)14-11-20)24(30)28-18(2)19-8-6-5-7-9-19/h5-11,13-14,18,21,23H,3-4,12,15-17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyRYTWGYVPNQYVKC-UHFFFAOYSA-N
XLogP4.97
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
(3S,6R)-1-N-butyl-6-(4-fluorophenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 93328583
1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 46041424
1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 46041651
(3R,6S)-3-N-[(2S)-butan-2-yl]-1-N-butyl-6-(4-fluoro-3-methylphenyl)piperidine-1,3-dicarboxamide
CID 92997251
(2S,5R)-N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
CID 93001954
1-N-butyl-2-N-(1-phenylethyl)pyrrolidine-1,2-dicarboxamide
CID 42702590
1-N-pentyl-4-N-(1-phenylethyl)cyclohexane-1,4-dicarboxamide
CID 109148218
1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849427
1-benzoyl-N-butan-2-yl-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 46041495
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide (CID 46041648) is 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide is CCCCNC(=O)N1CC(C(=O)NC(C)c2ccccc2)CCC1c1ccc(F)cc1.
What is the InChIKey of 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
The InChIKey is RYTWGYVPNQYVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-3-4-16-27-25(31)29-17-21(12-15-23(29)20-10-13-22(26)14-11-20)24(30)28-18(2)19-8-6-5-7-9-19/h5-11,13-14,18,21,23H,3-4,12,15-17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide?
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide has a molecular weight of 425.55 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 46041648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).