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

C23H29FN4O2 — CID 46041651

IUPAC1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCCCCNC(=O)N1CC(C(=O)NCc2cccnc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2/c1-2-3-13-26-23(30)28-16-19(22(29)27-15-17-5-4-12-25-14-17)8-11-21(28)18-6-9-20(24)10-7-18/h4-7,9-10,12,14,19,21H,2-3,8,11,13,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyJQJFRFRXYVNQRL-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.80
Rot. Bonds7

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

1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide (PubChem CID 46041651) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
PubChem CID46041651
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
SMILESCCCCNC(=O)N1CC(C(=O)NCc2cccnc2)CCC1c1ccc(F)cc1
InChIInChI=1S/C23H29FN4O2/c1-2-3-13-26-23(30)28-16-19(22(29)27-15-17-5-4-12-25-14-17)8-11-21(28)18-6-9-20(24)10-7-18/h4-7,9-10,12,14,19,21H,2-3,8,11,13,15-16H2,1H3,(H,26,30)(H,27,29)
InChIKeyJQJFRFRXYVNQRL-UHFFFAOYSA-N
XLogP3.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46041524
(3S,6R)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996998
(3R,6R)-1-N-ethyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 92996997
(3S,6R)-1-N-butyl-6-(4-fluorophenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 93328583
(2S,5R)-N-butyl-2-(4-fluorophenyl)-5-(thiomorpholine-4-carbonyl)piperidine-1-carboxamide
CID 93001954
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
6-(4-ethylphenyl)-1-(2-methoxyacetyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 46065283
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
1-N-butyl-6-(4-fluoro-3-methylphenyl)-3-N-(pyridin-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 42866470
6-(3-methylphenyl)-1-N-propan-2-yl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42849641
1-N-butyl-4-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109145063
(2S,3R)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97457753

Frequently Asked Questions

What is the IUPAC name of 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide (CID 46041651) is 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide is CCCCNC(=O)N1CC(C(=O)NCc2cccnc2)CCC1c1ccc(F)cc1.
What is the InChIKey of 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
The InChIKey is JQJFRFRXYVNQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-2-3-13-26-23(30)28-16-19(22(29)27-15-17-5-4-12-25-14-17)8-11-21(28)18-6-9-20(24)10-7-18/h4-7,9-10,12,14,19,21H,2-3,8,11,13,15-16H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide?
1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butyl-6-(4-fluorophenyl)-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 46041651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).