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

C19H33N3O2 — CID 45203359

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H33N3O2/c1-15(2)9-12-22-13-11-21-19(24)17(22)14-18(23)20-10-8-16-6-4-3-5-7-16/h6,15,17H,3-5,7-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKQVZDZVFRRVGMB-UHFFFAOYSA-N
MW335.49 g/mol
LogP2.23
Rot. Bonds8

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

N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 45203359) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID45203359
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide
SMILESCC(C)CCN1CCNC(=O)C1CC(=O)NCCC1=CCCCC1
InChIInChI=1S/C19H33N3O2/c1-15(2)9-12-22-13-11-21-19(24)17(22)14-18(23)20-10-8-16-6-4-3-5-7-16/h6,15,17H,3-5,7-14H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKQVZDZVFRRVGMB-UHFFFAOYSA-N
XLogP2.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide (CID 45203359) is N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is CC(C)CCN1CCNC(=O)C1CC(=O)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is KQVZDZVFRRVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-15(2)9-12-22-13-11-21-19(24)17(22)14-18(23)20-10-8-16-6-4-3-5-7-16/h6,15,17H,3-5,7-14H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 2.23, 8 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]-2-[1-(3-methylbutyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45203359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).