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

C14H23N3O2 — CID 8709858

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-17(12-6-4-3-5-7-12)14(19)11-16-9-8-15-13(18)10-16/h6H,2-5,7-11H2,1H3,(H,15,18)
InChIKeySPUFXUNGEPPGOU-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.72
Rot. Bonds4

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

N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide (PubChem CID 8709858) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide
PubChem CID8709858
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide
SMILESCCN(C(=O)CN1CCNC(=O)C1)C1=CCCCC1
InChIInChI=1S/C14H23N3O2/c1-2-17(12-6-4-3-5-7-12)14(19)11-16-9-8-15-13(18)10-16/h6H,2-5,7-11H2,1H3,(H,15,18)
InChIKeySPUFXUNGEPPGOU-UHFFFAOYSA-N
XLogP0.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide (CID 8709858) is N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide is CCN(C(=O)CN1CCNC(=O)C1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide?
The InChIKey is SPUFXUNGEPPGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-2-17(12-6-4-3-5-7-12)14(19)11-16-9-8-15-13(18)10-16/h6H,2-5,7-11H2,1H3,(H,15,18).
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide has a molecular weight of 265.36 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-(3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 8709858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).