4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one

C16H21FN2O2 — CID 115067984

IUPAC4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
SMILESCC1(C2CCNC2)CN(Cc2cccc(F)c2)C(=O)CO1
InChIInChI=1S/C16H21FN2O2/c1-16(13-5-6-18-8-13)11-19(15(20)10-21-16)9-12-3-2-4-14(17)7-12/h2-4,7,13,18H,5-6,8-11H2,1H3
InChIKeyOOPRQDVLZBOSOZ-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.55
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one

4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one (PubChem CID 115067984) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
PubChem CID115067984
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
SMILESCC1(C2CCNC2)CN(Cc2cccc(F)c2)C(=O)CO1
InChIInChI=1S/C16H21FN2O2/c1-16(13-5-6-18-8-13)11-19(15(20)10-21-16)9-12-3-2-4-14(17)7-12/h2-4,7,13,18H,5-6,8-11H2,1H3
InChIKeyOOPRQDVLZBOSOZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methoxyphenyl)methyl]-6-methyl-6-piperidin-4-ylmorpholin-3-one
CID 115067815
3-[(3-hydroxyphenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065024
3-[(3-chlorophenyl)methyl]-5-methyl-5-piperidin-3-yl-1,3-oxazolidin-2-one
CID 115065021
(5aR,9aR)-4-[(3-fluorophenyl)methyl]-2,3,5a,6,7,8,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-5-one
CID 97419386
1-[(3-fluorophenyl)methyl]aziridin-2-one
CID 88919956
1-[(3-fluorophenyl)methyl]-3a,4,5,6,7,7a-hexahydro-[1,3]oxazolo[5,4-c]pyridin-2-one
CID 115007168
3-ethyl-5-methyl-5-pyrrolidin-3-yl-1,3-oxazolidin-2-one
CID 115065098
2-ethyl-1-[(3-fluorophenyl)methyl]piperazine
CID 63602697
1-[(3-fluorophenyl)methyl]-3-piperidin-4-ylimidazolidin-2-one
CID 50742706
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
2-[4-[(3-fluorophenyl)methyl]-5-oxomorpholin-2-yl]acetic acid
CID 115060361

Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one (CID 115067984) is 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one is CC1(C2CCNC2)CN(Cc2cccc(F)c2)C(=O)CO1.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
The InChIKey is OOPRQDVLZBOSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-16(13-5-6-18-8-13)11-19(15(20)10-21-16)9-12-3-2-4-14(17)7-12/h2-4,7,13,18H,5-6,8-11H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one?
4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one has a molecular weight of 292.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one is sourced from PubChem (CID 115067984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).