N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

C19H32N2O2 — CID 113116712

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)CCC1=CCCCC1
InChIInChI=1S/C19H32N2O2/c1-16-8-12-21(13-9-16)19(23)11-15-20(17(2)22)14-10-18-6-4-3-5-7-18/h6,16H,3-5,7-15H2,1-2H3
InChIKeyGWDMIFATJOJLSN-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.37
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide

N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (PubChem CID 113116712) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
PubChem CID113116712
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(C)CC1)CCC1=CCCCC1
InChIInChI=1S/C19H32N2O2/c1-16-8-12-21(13-9-16)19(23)11-15-20(17(2)22)14-10-18-6-4-3-5-7-18/h6,16H,3-5,7-15H2,1-2H3
InChIKeyGWDMIFATJOJLSN-UHFFFAOYSA-N
XLogP3.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.37
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-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide (CID 113116712) is N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is CC(=O)N(CCC(=O)N1CCC(C)CC1)CCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
The InChIKey is GWDMIFATJOJLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-16-8-12-21(13-9-16)19(23)11-15-20(17(2)22)14-10-18-6-4-3-5-7-18/h6,16H,3-5,7-15H2,1-2H3.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide has a molecular weight of 320.48 g/mol, XLogP of 3.37, 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-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide is sourced from PubChem (CID 113116712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).