(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one

C18H31NO2 — CID 99791919

IUPAC(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one
SMILESCC[C@@H]1CCC[C@H](CN2CCOC[C@@H]2[C@@H]2CCCC2=O)C1
InChIInChI=1S/C18H31NO2/c1-2-14-5-3-6-15(11-14)12-19-9-10-21-13-17(19)16-7-4-8-18(16)20/h14-17H,2-13H2,1H3/t14-,15+,16+,17-/m1/s1
InChIKeyXEODZTCLBLILDT-LTIDMASMSA-N
MW293.45 g/mol
LogP3.27
Rot. Bonds4

About (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one

(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one (PubChem CID 99791919) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one.

Molecular Properties

Compound Name(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one
PubChem CID99791919
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one
SMILESCC[C@@H]1CCC[C@H](CN2CCOC[C@@H]2[C@@H]2CCCC2=O)C1
InChIInChI=1S/C18H31NO2/c1-2-14-5-3-6-15(11-14)12-19-9-10-21-13-17(19)16-7-4-8-18(16)20/h14-17H,2-13H2,1H3/t14-,15+,16+,17-/m1/s1
InChIKeyXEODZTCLBLILDT-LTIDMASMSA-N
XLogP3.27
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one?
The IUPAC name of (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one (CID 99791919) is (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one.
What is the SMILES notation for (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one?
The canonical SMILES for (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one is CC[C@@H]1CCC[C@H](CN2CCOC[C@@H]2[C@@H]2CCCC2=O)C1.
What is the InChIKey of (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one?
The InChIKey is XEODZTCLBLILDT-LTIDMASMSA-N. The full InChI is InChI=1S/C18H31NO2/c1-2-14-5-3-6-15(11-14)12-19-9-10-21-13-17(19)16-7-4-8-18(16)20/h14-17H,2-13H2,1H3/t14-,15+,16+,17-/m1/s1.
What are the key properties of (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one?
(2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one has a molecular weight of 293.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3S)-4-[[(1S,3R)-3-ethylcyclohexyl]methyl]morpholin-3-yl]cyclopentan-1-one is sourced from PubChem (CID 99791919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).