4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

C17H29N3O2 — CID 5093494

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H29N3O2/c1-19(2)17(22)20-12-9-15(10-13-20)16(21)18-11-8-14-6-4-3-5-7-14/h6,15H,3-5,7-13H2,1-2H3,(H,18,21)
InChIKeyDWANSXQEEQQIDR-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.39
Rot. Bonds4

About 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide

4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (PubChem CID 5093494) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
PubChem CID5093494
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H29N3O2/c1-19(2)17(22)20-12-9-15(10-13-20)16(21)18-11-8-14-6-4-3-5-7-14/h6,15H,3-5,7-13H2,1-2H3,(H,18,21)
InChIKeyDWANSXQEEQQIDR-UHFFFAOYSA-N
XLogP2.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
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 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide (CID 5093494) is 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is CN(C)C(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
The InChIKey is DWANSXQEEQQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-19(2)17(22)20-12-9-15(10-13-20)16(21)18-11-8-14-6-4-3-5-7-14/h6,15H,3-5,7-13H2,1-2H3,(H,18,21).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide?
4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 5093494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).