(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone

C18H25NO2 — CID 110643999

IUPAC(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)C1CCCC1
InChIInChI=1S/C18H25NO2/c1-14-13-21-17(11-15-7-3-2-4-8-15)12-19(14)18(20)16-9-5-6-10-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3
InChIKeyKFOZYHIMCSVFEP-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.04
Rot. Bonds3

About (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone

(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone (PubChem CID 110643999) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone.

Molecular Properties

Compound Name(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
PubChem CID110643999
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone
SMILESCC1COC(Cc2ccccc2)CN1C(=O)C1CCCC1
InChIInChI=1S/C18H25NO2/c1-14-13-21-17(11-15-7-3-2-4-8-15)12-19(14)18(20)16-9-5-6-10-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3
InChIKeyKFOZYHIMCSVFEP-UHFFFAOYSA-N
XLogP3.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-benzyl-5-methylmorpholin-4-yl)propan-1-one
CID 110643992
(2-benzyl-5-methylmorpholin-4-yl)-(2-methylphenyl)methanone
CID 110644004
[2-(chloromethyl)-5-methylmorpholin-4-yl]-cyclohexylmethanone
CID 81211556
1-(2-benzyl-5-methylmorpholin-4-yl)pentan-1-one
CID 110643995
(2-benzyl-5-methylmorpholin-4-yl)-(3-bromophenyl)methanone
CID 110644011
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(4-fluorophenoxy)ethanone
CID 110706983
1-(2-benzyl-5-methylmorpholin-4-yl)-2-(1H-indol-3-yl)ethanone
CID 110644020
[2-(bromomethyl)-5-methylmorpholin-4-yl]-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106894223
4-(benzenesulfonyl)-2-benzyl-5-methylmorpholine
CID 110644067
2-benzyl-4-benzylsulfonyl-5-methylmorpholine
CID 110644092
1-[5-methyl-2-(2-phenylethyl)morpholin-4-yl]ethanone
CID 110706995
N-[4-(2-benzyl-5-methylmorpholin-4-yl)sulfonylphenyl]acetamide
CID 110644099

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone?
The IUPAC name of (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone (CID 110643999) is (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone.
What is the SMILES notation for (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone?
The canonical SMILES for (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone is CC1COC(Cc2ccccc2)CN1C(=O)C1CCCC1.
What is the InChIKey of (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone?
The InChIKey is KFOZYHIMCSVFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-13-21-17(11-15-7-3-2-4-8-15)12-19(14)18(20)16-9-5-6-10-16/h2-4,7-8,14,16-17H,5-6,9-13H2,1H3.
What are the key properties of (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone?
(2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone has a molecular weight of 287.40 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-5-methylmorpholin-4-yl)-cyclopentylmethanone is sourced from PubChem (CID 110643999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).