(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C22H23FN2O3 — CID 55753079

IUPAC(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOc1cccc2c1OCC(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C2
InChIInChI=1S/C22H23FN2O3/c1-2-27-20-5-3-4-16-14-17(15-28-21(16)20)22(26)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h3-9,14H,2,10-13,15H2,1H3
InChIKeyMHVNQPSPRJKROD-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.35
Rot. Bonds4

About (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 55753079) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID55753079
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCCOc1cccc2c1OCC(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C2
InChIInChI=1S/C22H23FN2O3/c1-2-27-20-5-3-4-16-14-17(15-28-21(16)20)22(26)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h3-9,14H,2,10-13,15H2,1H3
InChIKeyMHVNQPSPRJKROD-UHFFFAOYSA-N
XLogP3.35
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-(8-ethoxy-2H-chromen-3-yl)methanone
CID 55712924
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(8-methoxy-2H-chromen-3-yl)methanone
CID 120658310
[4-(4-chlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone
CID 844183
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 86822503
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
[4-(2-ethoxyphenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 35514584
[4-(4-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 7539432
[4-ethoxy-2-(4-fluorophenyl)quinolin-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 46319075
N-[2-(4-bromoanilino)-2-oxoethyl]-8-ethoxy-2H-chromene-3-carboxamide
CID 55878636

Frequently Asked Questions

What is the IUPAC name of (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 55753079) is (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CCOc1cccc2c1OCC(C(=O)N1CCN(c3ccc(F)cc3)CC1)=C2.
What is the InChIKey of (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is MHVNQPSPRJKROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c1-2-27-20-5-3-4-16-14-17(15-28-21(16)20)22(26)25-12-10-24(11-13-25)19-8-6-18(23)7-9-19/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 382.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-ethoxy-2H-chromen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55753079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).