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

C15H19FN2O2 — CID 42680068

IUPAC[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CNCC1c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C15H19FN2O2/c16-12-3-1-2-11(8-12)13-9-17-10-14(13)15(19)18-4-6-20-7-5-18/h1-3,8,13-14,17H,4-7,9-10H2
InChIKeyPONSMZSLRVLIHQ-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.99
Rot. Bonds2

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

[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42680068) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42680068
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CNCC1c1cccc(F)c1)N1CCOCC1
InChIInChI=1S/C15H19FN2O2/c16-12-3-1-2-11(8-12)13-9-17-10-14(13)15(19)18-4-6-20-7-5-18/h1-3,8,13-14,17H,4-7,9-10H2
InChIKeyPONSMZSLRVLIHQ-UHFFFAOYSA-N
XLogP0.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
pyrrolidin-1-yl-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42680057
(4R,5R)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740527
(4S,5S)-5-(3-fluorophenyl)-1-methyl-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 95740528
[4-(3-fluorobenzoyl)piperazin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone
CID 120922386
2-[2-(3-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 120756389
(4-methylpiperazin-1-yl)-(4-phenylpyrrolidin-3-yl)methanone
CID 42825204
[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120736182
(4-cyclopropylpiperazin-1-yl)-[2-(3-fluorophenyl)cyclopropyl]methanone
CID 71936510
[(3R,4S)-4-(3-fluorophenyl)pyrrolidin-3-yl]carbamic acid
CID 71014411
[4-(2-methylphenyl)piperazin-1-yl]-[4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanone
CID 42825253
2-[4-[2-(3-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]acetic acid
CID 119248827

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42680068) is [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is O=C(C1CNCC1c1cccc(F)c1)N1CCOCC1.
What is the InChIKey of [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is PONSMZSLRVLIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-12-3-1-2-11(8-12)13-9-17-10-14(13)15(19)18-4-6-20-7-5-18/h1-3,8,13-14,17H,4-7,9-10H2.
What are the key properties of [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 278.33 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42680068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).