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

C19H31N3O3 — CID 113116724

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C(C)=O)CC1)CCC1=CCCCC1
InChIInChI=1S/C19H31N3O3/c1-16(23)20(10-8-18-6-4-3-5-7-18)11-9-19(25)22-14-12-21(13-15-22)17(2)24/h6H,3-5,7-15H2,1-2H3
InChIKeySVIJLSRYWYEDBV-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.81
Rot. Bonds6

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

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (PubChem CID 113116724) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
PubChem CID113116724
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCN(C(C)=O)CC1)CCC1=CCCCC1
InChIInChI=1S/C19H31N3O3/c1-16(23)20(10-8-18-6-4-3-5-7-18)11-9-19(25)22-14-12-21(13-15-22)17(2)24/h6H,3-5,7-15H2,1-2H3
InChIKeySVIJLSRYWYEDBV-UHFFFAOYSA-N
XLogP1.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.81
H-Bond Donors ≤ 50
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-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide (CID 113116724) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is CC(=O)N(CCC(=O)N1CCN(C(C)=O)CC1)CCC1=CCCCC1.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
The InChIKey is SVIJLSRYWYEDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-16(23)20(10-8-18-6-4-3-5-7-18)11-9-19(25)22-14-12-21(13-15-22)17(2)24/h6H,3-5,7-15H2,1-2H3.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide has a molecular weight of 349.48 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-[2-(cyclohexen-1-yl)ethyl]acetamide is sourced from PubChem (CID 113116724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).