3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

C17H24FN3O2 — CID 646179

IUPAC3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)19-16(22)13-5-4-10-21(11-13)17(23)20-15-8-6-14(18)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJDYQUIXACOFNLS-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.98
Rot. Bonds4

About 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide

3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (PubChem CID 646179) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
PubChem CID646179
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
SMILESCCC(C)NC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O2/c1-3-12(2)19-16(22)13-5-4-10-21(11-13)17(23)20-15-8-6-14(18)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyJDYQUIXACOFNLS-UHFFFAOYSA-N
XLogP2.98
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-Methylpropanoyl)piperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24898133
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 45889074
1-(4-Perfluoroisopropylphenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49780161
1-(1-Propionylpiperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 49783427
1-(1-(3,3,3-Trifluoropropionyl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971637
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510

Frequently Asked Questions

What is the IUPAC name of 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide (CID 646179) is 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
The InChIKey is JDYQUIXACOFNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-3-12(2)19-16(22)13-5-4-10-21(11-13)17(23)20-15-8-6-14(18)7-9-15/h6-9,12-13H,3-5,10-11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide?
3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butan-2-yl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 646179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).