[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone

C17H29NO3 — CID 45197657

IUPAC[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C17H29NO3/c19-17(15-6-9-20-10-7-15)18-8-11-21-16(13-18)12-14-4-2-1-3-5-14/h14-16H,1-13H2
InChIKeyOZYORIBKXKZRBA-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.61
Rot. Bonds3

About [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone

[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone (PubChem CID 45197657) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
PubChem CID45197657
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCOC(CC2CCCCC2)C1
InChIInChI=1S/C17H29NO3/c19-17(15-6-9-20-10-7-15)18-8-11-21-16(13-18)12-14-4-2-1-3-5-14/h14-16H,1-13H2
InChIKeyOZYORIBKXKZRBA-UHFFFAOYSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(cyclohexylmethyl)morpholine-4-carbonyl]cyclopropane-1-carboxamide
CID 25386011
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
1-[2-(cyclohexylmethyl)morpholin-4-yl]-3-methylsulfanylpropan-1-one
CID 45207278
[3-(methylaminomethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 61205442
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
1-[3-[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-3-oxopropyl]azepan-2-one
CID 26405708
cyclopentyl-[(2R)-2-(fluoromethyl)-1,4-oxazepan-4-yl]methanone
CID 129349008
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
[(2R)-2-(cyclohexylmethyl)morpholin-4-yl]-thiophen-2-ylmethanone
CID 42245309
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129367608
cyclopropyl-[(2S)-2-(methylaminomethyl)morpholin-4-yl]methanone
CID 166684105

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone (CID 45197657) is [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCOC(CC2CCCCC2)C1.
What is the InChIKey of [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is OZYORIBKXKZRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c19-17(15-6-9-20-10-7-15)18-8-11-21-16(13-18)12-14-4-2-1-3-5-14/h14-16H,1-13H2.
What are the key properties of [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone?
[2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 295.42 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethyl)morpholin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 45197657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).