1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide

C18H32N2O — CID 56574620

IUPAC1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C18H32N2O/c1-2-3-4-8-13-19-18(21)16-10-9-14-20(15-16)17-11-6-5-7-12-17/h6,11,16-17H,2-5,7-10,12-15H2,1H3,(H,19,21)
InChIKeyCXUMMEHWMKAFME-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.50
Rot. Bonds7

About 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide

1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide (PubChem CID 56574620) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide
PubChem CID56574620
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide
SMILESCCCCCCNC(=O)C1CCCN(C2C=CCCC2)C1
InChIInChI=1S/C18H32N2O/c1-2-3-4-8-13-19-18(21)16-10-9-14-20(15-16)17-11-6-5-7-12-17/h6,11,16-17H,2-5,7-10,12-15H2,1H3,(H,19,21)
InChIKeyCXUMMEHWMKAFME-UHFFFAOYSA-N
XLogP3.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide?
The IUPAC name of 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide (CID 56574620) is 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide.
What is the SMILES notation for 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide?
The canonical SMILES for 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide is CCCCCCNC(=O)C1CCCN(C2C=CCCC2)C1.
What is the InChIKey of 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide?
The InChIKey is CXUMMEHWMKAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-3-4-8-13-19-18(21)16-10-9-14-20(15-16)17-11-6-5-7-12-17/h6,11,16-17H,2-5,7-10,12-15H2,1H3,(H,19,21).
What are the key properties of 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide?
1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohex-2-en-1-yl-N-hexylpiperidine-3-carboxamide is sourced from PubChem (CID 56574620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).