[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone

C24H29F2N3O3 — CID 70260999

IUPAC[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29F2N3O3/c25-20-5-1-18(2-6-20)23(19-3-7-21(26)8-4-19)32-16-14-28-10-12-29(13-11-28)24(30)22-17-27-9-15-31-22/h1-8,22-23,27H,9-17H2
InChIKeyFEVNWYMDPSGONG-UHFFFAOYSA-N
MW445.51 g/mol
LogP2.20
Rot. Bonds7

About [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone

[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone (PubChem CID 70260999) has the molecular formula C24H29F2N3O3 and a molecular weight of 445.51 g/mol. Its IUPAC name is [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone
PubChem CID70260999
Molecular FormulaC24H29F2N3O3
Molecular Weight445.51 g/mol
Exact Mass445.22
IUPAC Name[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone
SMILESO=C(C1CNCCO1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29F2N3O3/c25-20-5-1-18(2-6-20)23(19-3-7-21(26)8-4-19)32-16-14-28-10-12-29(13-11-28)24(30)22-17-27-9-15-31-22/h1-8,22-23,27H,9-17H2
InChIKeyFEVNWYMDPSGONG-UHFFFAOYSA-N
XLogP2.20
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.51
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119838568
3-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propanoic acid
CID 3046260
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperidine-4-carboxylic acid
CID 139851809
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-2-ylmethanone;dihydrochloride
CID 119887901
morpholin-2-yl-(4-propyl-1,4-diazepan-1-yl)methanone
CID 131911390
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-cyclohexylpiperazine-1-carboxamide
CID 23371543
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]-4-methylpiperazine
CID 4742801
1-[2-[bis(4-fluorophenyl)methoxy]ethyl]pyrrolidine;hydrochloride
CID 3024524
[3-(4-fluorophenoxy)azetidin-1-yl]-[(2R)-morpholin-2-yl]methanone
CID 125177233
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-morpholin-2-ylmethanone
CID 119696011
[4-(2,4-difluorophenoxy)piperidin-1-yl]-morpholin-2-ylmethanone
CID 119736591
(E)-1-[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-methylphenyl)prop-2-en-1-one
CID 12634883

Frequently Asked Questions

What is the IUPAC name of [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone?
The IUPAC name of [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone (CID 70260999) is [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone is O=C(C1CNCCO1)N1CCN(CCOC(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone?
The InChIKey is FEVNWYMDPSGONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O3/c25-20-5-1-18(2-6-20)23(19-3-7-21(26)8-4-19)32-16-14-28-10-12-29(13-11-28)24(30)22-17-27-9-15-31-22/h1-8,22-23,27H,9-17H2.
What are the key properties of [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone?
[4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone has a molecular weight of 445.51 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 70260999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).