azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane

C18H35N3O — CID 177134542

IUPACazetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane
SMILESCC.CCC1CCC(N2CCN(C(=O)C3CNC3)CC2)CC1
InChIInChI=1S/C16H29N3O.C2H6/c1-2-13-3-5-15(6-4-13)18-7-9-19(10-8-18)16(20)14-11-17-12-14;1-2/h13-15,17H,2-12H2,1H3;1-2H3
InChIKeyFSLRFKPETQUCJR-UHFFFAOYSA-N
MW309.50 g/mol
LogP2.35
Rot. Bonds3

About azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane

azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane (PubChem CID 177134542) has the molecular formula C18H35N3O and a molecular weight of 309.50 g/mol. Its IUPAC name is azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane.

Molecular Properties

Compound Nameazetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane
PubChem CID177134542
Molecular FormulaC18H35N3O
Molecular Weight309.50 g/mol
Exact Mass309.28
IUPAC Nameazetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane
SMILESCC.CCC1CCC(N2CCN(C(=O)C3CNC3)CC2)CC1
InChIInChI=1S/C16H29N3O.C2H6/c1-2-13-3-5-15(6-4-13)18-7-9-19(10-8-18)16(20)14-11-17-12-14;1-2/h13-15,17H,2-12H2,1H3;1-2H3
InChIKeyFSLRFKPETQUCJR-UHFFFAOYSA-N
XLogP2.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone
CID 177010568
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
(4-ethylpiperidin-1-yl)-(4-morpholin-4-ylcyclohexyl)methanone
CID 126834550
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734
1-(azetidin-3-yl)-4-(3-ethylcyclopentyl)piperazine
CID 66202501
1-cyclopropyl-4-ethylpiperidine;ethane
CID 145311489
(4-cyclopentyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119871577
cyclobutyl-(4-cycloheptylpiperazin-1-yl)methanone
CID 113074947
[(3S)-piperidin-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 81129587
cyclobutyl-(4-piperidin-3-ylpiperazin-1-yl)methanone
CID 115270016
[4-(azetidin-3-yl)piperazin-1-yl]-(oxan-3-yl)methanone
CID 66203292

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane?
The IUPAC name of azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane (CID 177134542) is azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane.
What is the SMILES notation for azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane?
The canonical SMILES for azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane is CC.CCC1CCC(N2CCN(C(=O)C3CNC3)CC2)CC1.
What is the InChIKey of azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane?
The InChIKey is FSLRFKPETQUCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.C2H6/c1-2-13-3-5-15(6-4-13)18-7-9-19(10-8-18)16(20)14-11-17-12-14;1-2/h13-15,17H,2-12H2,1H3;1-2H3.
What are the key properties of azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane?
azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane has a molecular weight of 309.50 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane is sourced from PubChem (CID 177134542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).