[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone

C20H24FN3O2S — CID 119854290

IUPAC[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C20H24FN3O2S/c21-17-4-2-1-3-16(17)19-6-5-15(27-19)13-23-8-10-24(11-9-23)20(25)18-14-26-12-7-22-18/h1-6,18,22H,7-14H2
InChIKeyKDXQUQUHSZPDIL-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.19
Rot. Bonds4

About [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone

[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119854290) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
PubChem CID119854290
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC Name[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C20H24FN3O2S/c21-17-4-2-1-3-16(17)19-6-5-15(27-19)13-23-8-10-24(11-9-23)20(25)18-14-26-12-7-22-18/h1-6,18,22H,7-14H2
InChIKeyKDXQUQUHSZPDIL-UHFFFAOYSA-N
XLogP2.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55573164
[4-(2-fluorophenyl)piperazin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 124513191
N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 56808058
2-(2-fluorophenyl)-1-[4-(morpholine-3-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119754847
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 35262712
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485
[4-(2,5-difluorophenyl)piperazin-1-yl]-morpholin-3-ylmethanone
CID 119887859
[4-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119878565
N-cyclopropyl-3-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 39229801
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-morpholin-3-ylmethanone;dihydrochloride
CID 119864310

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone (CID 119854290) is [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone is O=C(C1COCCN1)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is KDXQUQUHSZPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c21-17-4-2-1-3-16(17)19-6-5-15(27-19)13-23-8-10-24(11-9-23)20(25)18-14-26-12-7-22-18/h1-6,18,22H,7-14H2.
What are the key properties of [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone?
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 389.50 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119854290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).