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

C16H28N2O2 — CID 63171111

IUPAC4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C16H28N2O2/c1-13-2-3-16(19)14(10-13)11-17-5-4-15(12-17)18-6-8-20-9-7-18/h13-15H,2-12H2,1H3
InChIKeyAFOOOVAWEFPWQV-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.40
Rot. Bonds3

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

4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 63171111) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
PubChem CID63171111
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one
SMILESCC1CCC(=O)C(CN2CCC(N3CCOCC3)C2)C1
InChIInChI=1S/C16H28N2O2/c1-13-2-3-16(19)14(10-13)11-17-5-4-15(12-17)18-6-8-20-9-7-18/h13-15H,2-12H2,1H3
InChIKeyAFOOOVAWEFPWQV-UHFFFAOYSA-N
XLogP1.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one (CID 63171111) is 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one is CC1CCC(=O)C(CN2CCC(N3CCOCC3)C2)C1.
What is the InChIKey of 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is AFOOOVAWEFPWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-2-3-16(19)14(10-13)11-17-5-4-15(12-17)18-6-8-20-9-7-18/h13-15H,2-12H2,1H3.
What are the key properties of 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one?
4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 280.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 63171111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).