1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone

C13H23FN2O2 — CID 141160123

IUPAC1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
SMILESC[C@@H]1COC[C@H](N1C(=O)CN2CCC(CC2)F)C
InChIInChI=1S/C13H23FN2O2/c1-10-8-18-9-11(2)16(10)13(17)7-15-5-3-12(14)4-6-15/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyCGDLDROHSGWQOK-GHMZBOCLSA-N
MW258.33 g/mol
LogP1.20
Rot. Bonds2

About 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone

1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone (PubChem CID 141160123) has the molecular formula C13H23FN2O2 and a molecular weight of 258.33 g/mol. Its IUPAC name is 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
PubChem CID141160123
Molecular FormulaC13H23FN2O2
Molecular Weight258.33 g/mol
Exact Mass258.17
IUPAC Name1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone
SMILESC[C@@H]1COC[C@H](N1C(=O)CN2CCC(CC2)F)C
InChIInChI=1S/C13H23FN2O2/c1-10-8-18-9-11(2)16(10)13(17)7-15-5-3-12(14)4-6-15/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1
InChIKeyCGDLDROHSGWQOK-GHMZBOCLSA-N
XLogP1.20
TPSA32.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity283

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone;hydrochloride
CID 16195078
3-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 53607179
1-(4-Acetylpiperazin-1-yl)-2-[3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]ethanone
CID 56802300
1-(4-Fluoropiperidin-1-yl)-2-morpholin-4-ylethanone
CID 172434889
2-[Cyclohexyl(methyl)amino]-1-morpholin-4-ylethanone
CID 47006665
1-(3-Methylpiperidin-1-yl)-2-morpholinoethanone
CID 57600096
2-(3,5-Dimethylpiperidin-1-yl)-1-morpholin-4-ylethanone
CID 3229435
Morpholine, 4-[(4-amino-1-piperidinyl)acetyl]-, dihydrochloride
CID 17609490
2-(2,5-Dimethylmorpholin-4-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 45811018
2-(2-Ethylpiperidin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 51074713
4-(2-Oxo-2-piperidin-1-ylethyl)-2-(trifluoromethyl)morpholine
CID 56864653
2-[2-(morpholin-4-ylmethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 72115581

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone?
The IUPAC name of 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone (CID 141160123) is 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone.
What is the SMILES notation for 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone?
The canonical SMILES for 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone is C[C@@H]1COC[C@H](N1C(=O)CN2CCC(CC2)F)C.
What is the InChIKey of 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone?
The InChIKey is CGDLDROHSGWQOK-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H23FN2O2/c1-10-8-18-9-11(2)16(10)13(17)7-15-5-3-12(14)4-6-15/h10-12H,3-9H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone?
1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone has a molecular weight of 258.33 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(4-fluoropiperidin-1-yl)ethanone is sourced from PubChem (CID 141160123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).