[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

C16H21FN2O2 — CID 155800439

IUPAC[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2cccc(F)c2)CCO1)N1CCCC1
InChIInChI=1S/C16H21FN2O2/c17-14-5-3-4-13(10-14)11-18-8-9-21-15(12-18)16(20)19-6-1-2-7-19/h3-5,10,15H,1-2,6-9,11-12H2
InChIKeyURQCBJDPYUCAAD-UHFFFAOYSA-N
MW292.35 g/mol
LogP1.65
Rot. Bonds3

About [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone

[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 155800439) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID155800439
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CN(Cc2cccc(F)c2)CCO1)N1CCCC1
InChIInChI=1S/C16H21FN2O2/c17-14-5-3-4-13(10-14)11-18-8-9-21-15(12-18)16(20)19-6-1-2-7-19/h3-5,10,15H,1-2,6-9,11-12H2
InChIKeyURQCBJDPYUCAAD-UHFFFAOYSA-N
XLogP1.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
[4-[(2-chloro-6-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800553
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981397
2-(chloromethyl)-4-[(3-fluorophenyl)methyl]morpholine
CID 81213684
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
CID 97023605
cyclopropyl-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 17250044
2-(3-fluorophenyl)-1-[4-[(2S)-oxolane-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 124505549
1-[1-[(3-fluorophenyl)methyl]piperidine-3-carbonyl]piperidine-4-carboxylic acid
CID 119349333
3-fluoro-4-[[2-(piperidine-1-carbonyl)morpholin-4-yl]methyl]benzonitrile
CID 146078095
1,4-diazepan-1-yl-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]methanone;dihydrochloride
CID 119418013

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone (CID 155800439) is [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is O=C(C1CN(Cc2cccc(F)c2)CCO1)N1CCCC1.
What is the InChIKey of [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is URQCBJDPYUCAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c17-14-5-3-4-13(10-14)11-18-8-9-21-15(12-18)16(20)19-6-1-2-7-19/h3-5,10,15H,1-2,6-9,11-12H2.
What are the key properties of [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone?
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.35 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 155800439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).