4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one

C17H30N2O2 — CID 63171112

IUPAC4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C17H30N2O2/c1-2-14-3-4-17(20)15(11-14)12-18-6-5-16(13-18)19-7-9-21-10-8-19/h14-16H,2-13H2,1H3
InChIKeyKSPJZYQGSQWQKD-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.79
Rot. Bonds4

About 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one

4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 63171112) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
PubChem CID63171112
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C17H30N2O2/c1-2-14-3-4-17(20)15(11-14)12-18-6-5-16(13-18)19-7-9-21-10-8-19/h14-16H,2-13H2,1H3
InChIKeyKSPJZYQGSQWQKD-UHFFFAOYSA-N
XLogP1.79
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Ethyl-4-methyl-6-[methyl(2-morpholin-4-ylethyl)amino]cycloheptan-1-one
CID 123288935
2,5-Bis(1-morpholin-4-ylethyl)cyclopentan-1-one
CID 13158780
2-(1-Morpholin-4-ylethyl)cyclohexan-1-one
CID 14493907
2-[(2,2-Dimethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
CID 55094305
2-[(3-Ethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
CID 55094306
4-Ethyl-2-[(5-ethyl-2-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 55094734
4-Ethyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 55094827
2-[(2,5-Dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
CID 55094875
(4-Butylcyclohexyl)-[2-[(2,6-dimethylmorpholin-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 60591447
2-[(3,3-Dimethylmorpholin-4-yl)methyl]-4-ethylcyclohexan-1-one
CID 62612231
2-[(3,3-Dimethylmorpholin-4-yl)methyl]-4-propylcyclohexan-1-one
CID 62612392
4-Methyl-2-[(3-methylmorpholin-4-yl)methyl]cyclohexan-1-one
CID 62612861

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one (CID 63171112) is 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN2CCC(N3CCOCC3)C2)C1.
What is the InChIKey of 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is KSPJZYQGSQWQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-14-3-4-17(20)15(11-14)12-18-6-5-16(13-18)19-7-9-21-10-8-19/h14-16H,2-13H2,1H3.
What are the key properties of 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 294.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 63171112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).