1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

C17H28N6O3 — CID 127888364

IUPAC1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCCC1CCCCC1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C17H28N6O3/c1-2-14-5-3-4-6-15(14)26-12-17(25)22-9-7-21(8-10-22)16(24)11-23-13-18-19-20-23/h13-15H,2-12H2,1H3
InChIKeyOUDOMSFRLSTEAY-UHFFFAOYSA-N
MW364.45 g/mol
LogP0.33
Rot. Bonds6

About 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 127888364) has the molecular formula C17H28N6O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID127888364
Molecular FormulaC17H28N6O3
Molecular Weight364.45 g/mol
Exact Mass364.22
IUPAC Name1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCCC1CCCCC1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1
InChIInChI=1S/C17H28N6O3/c1-2-14-5-3-4-6-15(14)26-12-17(25)22-9-7-21(8-10-22)16(24)11-23-13-18-19-20-23/h13-15H,2-12H2,1H3
InChIKeyOUDOMSFRLSTEAY-UHFFFAOYSA-N
XLogP0.33
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-amino-3-ethylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 81458198
1-[4-[2-(tetrazol-1-yl)acetyl]piperazin-1-yl]pentan-1-one
CID 78875804
1-[2-(hydroxymethyl)piperidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 43421717
1-(4-pyrrolidin-2-ylpiperidin-1-yl)-2-(tetrazol-1-yl)ethanone
CID 63259244
ethyl 1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 43406985
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
ethyl 2-(2-ethylcyclohexyl)oxyacetate
CID 43119660
ethyl 4-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]piperazine-1-carboxylate
CID 31005006
5-[1-[2-(2-ethylcyclohexyl)oxyacetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 127888669
ethyl N-[(3S)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]carbamate
CID 94187844
1-cyclopentyl-2-(2-ethylcyclohexyl)oxyethanone
CID 104751673
2-[1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]acetic acid
CID 55105139

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 127888364) is 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is CCC1CCCCC1OCC(=O)N1CCN(C(=O)Cn2cnnn2)CC1.
What is the InChIKey of 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is OUDOMSFRLSTEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O3/c1-2-14-5-3-4-6-15(14)26-12-17(25)22-9-7-21(8-10-22)16(24)11-23-13-18-19-20-23/h13-15H,2-12H2,1H3.
What are the key properties of 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 364.45 g/mol, XLogP of 0.33, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-ethylcyclohexyl)oxyacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 127888364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).