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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Related Compounds

[4-(Cyclohex-3-enecarbonyl)-piperazin-1-yl]-cyclohex-3-enyl-methanone
CID 3133172
AI 3-37220
CID 90567
1-(3-Cyclohexen-1-ylcarbonyl)piperidine
CID 162129
1-[4-(Cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
Piperidine, 1-((6-methyl-3-cyclohexen-1-yl)carbonyl)-
CID 3055356
[1-(Cyclohex-3-en-1-ylmethyl)piperidin-4-yl](3-methylpiperidin-1-yl)methanone
CID 655246
SS-220
CID 40579125
Cambridge id 6578844
CID 2903559
Cambridge id 5431381
CID 2846180
Cambridge id 6577895
CID 3152668
Cambridge id 6578492
CID 3655508
Cambridge id 6579812
CID 44782287

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).