N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

C20H35N3O2 — CID 603430

IUPACN-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)N1CCN(CCN(CC2C(C)C=C(C)CC2C)C(C)=O)CC1
InChIInChI=1S/C20H35N3O2/c1-15-12-16(2)20(17(3)13-15)14-23(19(5)25)11-8-21-6-9-22(10-7-21)18(4)24/h12,16-17,20H,6-11,13-14H2,1-5H3
InChIKeyHRUBGZMAOSUVOK-UHFFFAOYSA-N
MW349.52 g/mol
LogP2.24
Rot. Bonds5

About N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide

N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide (PubChem CID 603430) has the molecular formula C20H35N3O2 and a molecular weight of 349.52 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
PubChem CID603430
Molecular FormulaC20H35N3O2
Molecular Weight349.52 g/mol
Exact Mass349.27
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide
SMILESCC(=O)N1CCN(CCN(CC2C(C)C=C(C)CC2C)C(C)=O)CC1
InChIInChI=1S/C20H35N3O2/c1-15-12-16(2)20(17(3)13-15)14-23(19(5)25)11-8-21-6-9-22(10-7-21)18(4)24/h12,16-17,20H,6-11,13-14H2,1-5H3
InChIKeyHRUBGZMAOSUVOK-UHFFFAOYSA-N
XLogP2.24
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.52
LogP ≤ 52.24
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-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide (CID 603430) is N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide is CC(=O)N1CCN(CCN(CC2C(C)C=C(C)CC2C)C(C)=O)CC1.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
The InChIKey is HRUBGZMAOSUVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O2/c1-15-12-16(2)20(17(3)13-15)14-23(19(5)25)11-8-21-6-9-22(10-7-21)18(4)24/h12,16-17,20H,6-11,13-14H2,1-5H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide?
N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide has a molecular weight of 349.52 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)ethyl]-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]acetamide is sourced from PubChem (CID 603430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).