1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one

C20H34N2O3 — CID 26405708

IUPAC1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
SMILESO=C1CCCCCN1CCC(=O)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C20H34N2O3/c23-19-9-5-2-6-11-21(19)12-10-20(24)22-13-14-25-18(16-22)15-17-7-3-1-4-8-17/h17-18H,1-16H2/t18-/m1/s1
InChIKeyZPGXFJJQIUFNRK-GOSISDBHSA-N
MW350.50 g/mol
LogP2.98
Rot. Bonds5

About 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one

1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one (PubChem CID 26405708) has the molecular formula C20H34N2O3 and a molecular weight of 350.50 g/mol. Its IUPAC name is 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one.

Molecular Properties

Compound Name1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
PubChem CID26405708
Molecular FormulaC20H34N2O3
Molecular Weight350.50 g/mol
Exact Mass350.26
IUPAC Name1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
SMILESO=C1CCCCCN1CCC(=O)N1CCO[C@H](CC2CCCCC2)C1
InChIInChI=1S/C20H34N2O3/c23-19-9-5-2-6-11-21(19)12-10-20(24)22-13-14-25-18(16-22)15-17-7-3-1-4-8-17/h17-18H,1-16H2/t18-/m1/s1
InChIKeyZPGXFJJQIUFNRK-GOSISDBHSA-N
XLogP2.98
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-oxo-3-[2-(2-phenylethyl)morpholin-4-yl]propyl]azepan-2-one
CID 45227906
1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 45207278
1-[3-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 95222110
1-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-3-pyridin-4-ylpropan-1-one
CID 42293003
[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 45197657
1-[3-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-oxopropyl]azepan-2-one
CID 137345775
1-[2-[(2S)-2-(cyclohexylmethyl)morpholin-4-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 95556090
2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 167933775
1-[3-[6-[(dimethylamino)methyl]-1,4-oxazepan-4-yl]-3-oxopropyl]pyrrolidin-2-one
CID 131943275
1-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-2-(2-hydroxyphenoxy)ethanone
CID 95445095
1-[3-oxo-3-(4-phenylazepan-1-yl)propyl]azepan-2-one
CID 131898933
1-[3-[(5S)-5-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-oxopropyl]azepan-2-one
CID 164688789

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
The IUPAC name of 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one (CID 26405708) is 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one.
What is the SMILES notation for 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
The canonical SMILES for 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one is O=C1CCCCCN1CCC(=O)N1CCO[C@H](CC2CCCCC2)C1.
What is the InChIKey of 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
The InChIKey is ZPGXFJJQIUFNRK-GOSISDBHSA-N. The full InChI is InChI=1S/C20H34N2O3/c23-19-9-5-2-6-11-21(19)12-10-20(24)22-13-14-25-18(16-22)15-17-7-3-1-4-8-17/h17-18H,1-16H2/t18-/m1/s1.
What are the key properties of 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one?
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one has a molecular weight of 350.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one is sourced from PubChem (CID 26405708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).