N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide

C19H32N2O — CID 122136654

IUPACN-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide
SMILESCC(NC(=O)CC1=CCCCC1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C19H32N2O/c1-15(20-19(22)13-16-7-3-2-4-8-16)17-9-6-12-21(14-17)18-10-5-11-18/h7,15,17-18H,2-6,8-14H2,1H3,(H,20,22)
InChIKeyVSXAAPCHPFVBBF-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.65
Rot. Bonds5

About N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide

N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide (PubChem CID 122136654) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide
PubChem CID122136654
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC NameN-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide
SMILESCC(NC(=O)CC1=CCCCC1)C1CCCN(C2CCC2)C1
InChIInChI=1S/C19H32N2O/c1-15(20-19(22)13-16-7-3-2-4-8-16)17-9-6-12-21(14-17)18-10-5-11-18/h7,15,17-18H,2-6,8-14H2,1H3,(H,20,22)
InChIKeyVSXAAPCHPFVBBF-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.65
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 N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide?
The IUPAC name of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide (CID 122136654) is N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide.
What is the SMILES notation for N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide?
The canonical SMILES for N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide is CC(NC(=O)CC1=CCCCC1)C1CCCN(C2CCC2)C1.
What is the InChIKey of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide?
The InChIKey is VSXAAPCHPFVBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-15(20-19(22)13-16-7-3-2-4-8-16)17-9-6-12-21(14-17)18-10-5-11-18/h7,15,17-18H,2-6,8-14H2,1H3,(H,20,22).
What are the key properties of N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide?
N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide has a molecular weight of 304.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclobutylpiperidin-3-yl)ethyl]-2-(cyclohexen-1-yl)acetamide is sourced from PubChem (CID 122136654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).