[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H34FN3O5 — CID 46060337

IUPAC[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(CC3CN(Cc4cccc(F)c4)CCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H34FN3O5/c1-32-23-14-20(15-24(33-2)25(23)34-3)26(31)30-9-7-28(8-10-30)17-22-18-29(11-12-35-22)16-19-5-4-6-21(27)13-19/h4-6,13-15,22H,7-12,16-18H2,1-3H3
InChIKeyRRHFTDDXOOWFAG-UHFFFAOYSA-N
MW487.57 g/mol
LogP2.51
Rot. Bonds8

About [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 46060337) has the molecular formula C26H34FN3O5 and a molecular weight of 487.57 g/mol. Its IUPAC name is [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID46060337
Molecular FormulaC26H34FN3O5
Molecular Weight487.57 g/mol
Exact Mass487.25
IUPAC Name[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(CC3CN(Cc4cccc(F)c4)CCO3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H34FN3O5/c1-32-23-14-20(15-24(33-2)25(23)34-3)26(31)30-9-7-28(8-10-30)17-22-18-29(11-12-35-22)16-19-5-4-6-21(27)13-19/h4-6,13-15,22H,7-12,16-18H2,1-3H3
InChIKeyRRHFTDDXOOWFAG-UHFFFAOYSA-N
XLogP2.51
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.57
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-fluorophenyl)-[(2R)-2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 92988161
[4-[[4-(furan-3-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 46060338
(3-chlorophenyl)-[2-[[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methyl]morpholin-4-yl]methanone
CID 42861839
[4-[[4-(2-hydroxy-3-morpholin-4-ylpropyl)morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862306
(3-methoxyphenyl)-[4-[[4-(pyridin-4-ylmethyl)morpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 42862438
[4-[[4-(3-fluoro-4-methylphenyl)sulfonylmorpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 42862587
(3,4-dimethoxyphenyl)-[2-[(3-fluorophenyl)methyl]morpholin-4-yl]methanone
CID 45238113
[4-[[(2S)-4-[(3,5-dimethoxyphenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92989684
(3-fluorophenyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17366596
(2R)-4-[(2,3-dimethoxyphenyl)methyl]-2-[(3-fluorophenyl)methyl]morpholine
CID 29185207
[4-[[4-(3-fluorobenzoyl)morpholin-2-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42861807
(3-chloro-4,5-dimethoxyphenyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 51151969

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 46060337) is [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(CC3CN(Cc4cccc(F)c4)CCO3)CC2)cc(OC)c1OC.
What is the InChIKey of [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is RRHFTDDXOOWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O5/c1-32-23-14-20(15-24(33-2)25(23)34-3)26(31)30-9-7-28(8-10-30)17-22-18-29(11-12-35-22)16-19-5-4-6-21(27)13-19/h4-6,13-15,22H,7-12,16-18H2,1-3H3.
What are the key properties of [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 487.57 g/mol, XLogP of 2.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[(3-fluorophenyl)methyl]morpholin-2-yl]methyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 46060337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).