[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone

C22H22N2O4 — CID 75537760

IUPAC[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C22H22N2O4/c1-26-18-9-5-6-10-19(18)27-21-12-11-20(28-21)22(25)24-15-13-23(14-16-24)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3
InChIKeyMTERMXZPLHXDJP-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.04
Rot. Bonds5

About [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone

[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 75537760) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID75537760
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCOc1ccccc1Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C22H22N2O4/c1-26-18-9-5-6-10-19(18)27-21-12-11-20(28-21)22(25)24-15-13-23(14-16-24)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3
InChIKeyMTERMXZPLHXDJP-UHFFFAOYSA-N
XLogP4.04
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2-methoxyphenoxy)furan-2-yl]-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 91956759
(4-phenylpiperazin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 7892809
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
3-(2-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110755813
(2-methoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 937879
(2,6-dimethoxyphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 668885
(2,6-dimethoxyphenyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 113077374
2-(3,4-dimethoxyphenyl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 4212754
(E)-3-(2,6-dimethoxyphenyl)-1-(4-phenylpiperazin-1-yl)prop-2-en-1-one
CID 126239343
[5-[(2-methoxyphenoxy)methyl]furan-2-yl]-piperidin-1-ylmethanone
CID 1084341
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119561915

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone (CID 75537760) is [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone is COc1ccccc1Oc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is MTERMXZPLHXDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-26-18-9-5-6-10-19(18)27-21-12-11-20(28-21)22(25)24-15-13-23(14-16-24)17-7-3-2-4-8-17/h2-12H,13-16H2,1H3.
What are the key properties of [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone?
[5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 378.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyphenoxy)furan-2-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 75537760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).