4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide

C17H31N3O2 — CID 3216036

IUPAC4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-3-11-18-16(21)14-9-12-20(13-10-14)17(22)19-15-7-5-4-6-8-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyKQAFXXWVMJICOM-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.66
Rot. Bonds5

About 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide

4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide (PubChem CID 3216036) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
PubChem CID3216036
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide
SMILESCCCCNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-2-3-11-18-16(21)14-9-12-20(13-10-14)17(22)19-15-7-5-4-6-8-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyKQAFXXWVMJICOM-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.66
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

4-N-butyl-1-N-[4-(cyclohexylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845870
N-butyl-1-piperidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3283449
1-N-cyclopropyl-4-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 47151765
4-(cyclohexanecarbonylamino)-N-cyclohexylpiperidine-1-carboxamide
CID 3218389
1-N-cyclohexyl-4-N-[(4-methylphenyl)methyl]piperidine-1,4-dicarboxamide
CID 1083731
N-butyl-1-[2-(propan-2-ylamino)acetyl]piperidine-4-carboxamide
CID 60963263
N-cycloheptylpiperidine-1-carboxamide
CID 54054704
1-(cyclobutanecarbonyl)-N-pentylpiperidine-4-carboxamide
CID 113005621
4-[[4-(pentylcarbamoyl)piperidine-1-carbonyl]amino]butanoic acid
CID 122021638
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
1-(2-amino-2-ethylbutanoyl)-N-butylpiperidine-4-carboxamide
CID 79813591
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide (CID 3216036) is 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide is CCCCNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide?
The InChIKey is KQAFXXWVMJICOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-2-3-11-18-16(21)14-9-12-20(13-10-14)17(22)19-15-7-5-4-6-8-15/h14-15H,2-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide?
4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide has a molecular weight of 309.45 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-1-N-cyclohexylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 3216036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).