[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

C25H29FN2O6 — CID 42826342

IUPAC[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(C2CN(C(=O)c3ccccc3F)CC2C(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C25H29FN2O6/c1-31-21-12-16(13-22(32-2)23(21)33-3)18-14-28(24(29)17-6-4-5-7-20(17)26)15-19(18)25(30)27-8-10-34-11-9-27/h4-7,12-13,18-19H,8-11,14-15H2,1-3H3
InChIKeyINHWXRILBPONDY-UHFFFAOYSA-N
MW472.51 g/mol
LogP2.57
Rot. Bonds6

About [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone

[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 42826342) has the molecular formula C25H29FN2O6 and a molecular weight of 472.51 g/mol. Its IUPAC name is [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
PubChem CID42826342
Molecular FormulaC25H29FN2O6
Molecular Weight472.51 g/mol
Exact Mass472.20
IUPAC Name[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(C2CN(C(=O)c3ccccc3F)CC2C(=O)N2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C25H29FN2O6/c1-31-21-12-16(13-22(32-2)23(21)33-3)18-14-28(24(29)17-6-4-5-7-20(17)26)15-19(18)25(30)27-8-10-34-11-9-27/h4-7,12-13,18-19H,8-11,14-15H2,1-3H3
InChIKeyINHWXRILBPONDY-UHFFFAOYSA-N
XLogP2.57
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4R)-1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93150155
(3S,4R)-N-tert-butyl-3-(morpholine-4-carbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidine-1-carboxamide
CID 97479082
[(3S,4R)-1-(2,4-dichlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-piperidin-1-ylmethanone
CID 93150211
[1-(2,4-dichlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42680661
[(3R,4R)-1-(4-fluorobenzoyl)-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93151909
[1-benzoyl-4-(2-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42681054
[4-(2-methoxyphenyl)piperazin-1-yl]-[(3R,4R)-1-(thiophene-2-carbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]methanone
CID 98442583
[1-(3-chlorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42826347
[4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 86771877
[(3R,4R)-1-(3-methoxybenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 98184874
[(3R,4S)-1-(4-chlorobenzoyl)-4-phenylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 93148565
3,3-dimethyl-1-[(3S,4R)-3-(piperidine-1-carbonyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 93150194

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone (CID 42826342) is [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is COc1cc(C2CN(C(=O)c3ccccc3F)CC2C(=O)N2CCOCC2)cc(OC)c1OC.
What is the InChIKey of [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is INHWXRILBPONDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O6/c1-31-21-12-16(13-22(32-2)23(21)33-3)18-14-28(24(29)17-6-4-5-7-20(17)26)15-19(18)25(30)27-8-10-34-11-9-27/h4-7,12-13,18-19H,8-11,14-15H2,1-3H3.
What are the key properties of [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone?
[1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 472.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorobenzoyl)-4-(3,4,5-trimethoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 42826342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).