N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide

C18H30N2O2 — CID 113116710

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C18H30N2O2/c1-16(21)19(14-10-17-8-4-2-5-9-17)15-11-18(22)20-12-6-3-7-13-20/h8H,2-7,9-15H2,1H3
InChIKeyGWLAZCQXIKGINO-UHFFFAOYSA-N
MW306.45 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide (PubChem CID 113116710) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
PubChem CID113116710
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCCC1)CCC1=CCCCC1
InChIInChI=1S/C18H30N2O2/c1-16(21)19(14-10-17-8-4-2-5-9-17)15-11-18(22)20-12-6-3-7-13-20/h8H,2-7,9-15H2,1H3
InChIKeyGWLAZCQXIKGINO-UHFFFAOYSA-N
XLogP3.13
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.13
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 N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide (CID 113116710) is N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide is CC(=O)N(CCC(=O)N1CCCCC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
The InChIKey is GWLAZCQXIKGINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-16(21)19(14-10-17-8-4-2-5-9-17)15-11-18(22)20-12-6-3-7-13-20/h8H,2-7,9-15H2,1H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 113116710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).