1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide

C17H30N2O — CID 645987

IUPAC1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O/c1-3-19(4-2)17(20)16-10-12-18(13-11-16)14-15-8-6-5-7-9-15/h5-6,15-16H,3-4,7-14H2,1-2H3
InChIKeyDUOZLOOJPMIWGO-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.92
Rot. Bonds5

About 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide

1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide (PubChem CID 645987) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide
PubChem CID645987
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1
InChIInChI=1S/C17H30N2O/c1-3-19(4-2)17(20)16-10-12-18(13-11-16)14-15-8-6-5-7-9-15/h5-6,15-16H,3-4,7-14H2,1-2H3
InChIKeyDUOZLOOJPMIWGO-UHFFFAOYSA-N
XLogP2.92
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide (CID 645987) is 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide?
The InChIKey is DUOZLOOJPMIWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-19(4-2)17(20)16-10-12-18(13-11-16)14-15-8-6-5-7-9-15/h5-6,15-16H,3-4,7-14H2,1-2H3.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide?
1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)-N,N-diethylpiperidine-4-carboxamide is sourced from PubChem (CID 645987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).