azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone

C17H30N2O — CID 177010568

IUPACazetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone
SMILESCCC1CCN(C2CCC(C(=O)N3CCC3)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-2-14-8-12-18(13-9-14)16-6-4-15(5-7-16)17(20)19-10-3-11-19/h14-16H,2-13H2,1H3
InChIKeyCYDOCMBWSRRBNF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds3

About azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone

azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone (PubChem CID 177010568) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone.

Molecular Properties

Compound Nameazetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone
PubChem CID177010568
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Nameazetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone
SMILESCCC1CCN(C2CCC(C(=O)N3CCC3)CC2)CC1
InChIInChI=1S/C17H30N2O/c1-2-14-8-12-18(13-9-14)16-6-4-15(5-7-16)17(20)19-10-3-11-19/h14-16H,2-13H2,1H3
InChIKeyCYDOCMBWSRRBNF-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone?
The IUPAC name of azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone (CID 177010568) is azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone.
What is the SMILES notation for azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone?
The canonical SMILES for azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone is CCC1CCN(C2CCC(C(=O)N3CCC3)CC2)CC1.
What is the InChIKey of azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone?
The InChIKey is CYDOCMBWSRRBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-14-8-12-18(13-9-14)16-6-4-15(5-7-16)17(20)19-10-3-11-19/h14-16H,2-13H2,1H3.
What are the key properties of azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone?
azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone has a molecular weight of 278.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone is sourced from PubChem (CID 177010568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).