N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide

C17H29N3O2 — CID 16886517

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCN1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H29N3O2/c1-20-11-8-15(9-12-20)13-19-17(22)16(21)18-10-7-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyKKANPHHGZYOKNH-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.45
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide

N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide (PubChem CID 16886517) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide
PubChem CID16886517
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide
SMILESCN1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1
InChIInChI=1S/C17H29N3O2/c1-20-11-8-15(9-12-20)13-19-17(22)16(21)18-10-7-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)(H,19,22)
InChIKeyKKANPHHGZYOKNH-UHFFFAOYSA-N
XLogP1.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-cyclohexen-1-yl)ethyl]-N'-propylethanediamide
CID 2888937
N-[2-(1-cyclohexen-1-yl)ethyl]-N'-(3-methylbutyl)ethanediamide
CID 2291103
N-(tert-butyl)-N'-[2-(1-cyclohexen-1-yl)ethyl]ethanediamide
CID 2914644
N-(2-Cyclohex-1-enyl-ethyl)-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 6603138
N-cyclobutyl-N'-{[(4S)-4-(prop-1-en-2-yl)cyclohex-1-en-1-yl]methyl}ethanediamide
CID 167714471
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-cyclohexylethanediamide
CID 2916009
4-N-[2-(cyclohexen-1-yl)ethyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 5093494
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-isopropylpiperidin-4-yl)methyl)oxalamide
CID 16886602
N1-(2-(cyclohex-1-en-1-yl)ethyl)-N2-((1-cyclopentylpiperidin-4-yl)methyl)oxalamide
CID 16886772
N1-butyl-N2-(2-(cyclohex-1-en-1-yl)ethyl)oxalamide
CID 21212892
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazino)acetamide;hydrochloride
CID 653009
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-oxopiperazin-1-yl)acetamide
CID 8963352

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide (CID 16886517) is N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide is CN1CCC(CNC(=O)C(=O)NCCC2=CCCCC2)CC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
The InChIKey is KKANPHHGZYOKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-20-11-8-15(9-12-20)13-19-17(22)16(21)18-10-7-14-5-3-2-4-6-14/h5,15H,2-4,6-13H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide has a molecular weight of 307.44 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-[(1-methylpiperidin-4-yl)methyl]oxamide is sourced from PubChem (CID 16886517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).