(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone

C22H22N2O3 — CID 44585644

IUPAC(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)o2)CC1
InChIInChI=1S/C22H22N2O3/c1-23-13-15-24(16-14-23)22(25)21-12-11-20(27-21)17-7-9-19(10-8-17)26-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
InChIKeyVVVXZWWMQARKOK-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.13
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone

(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone (PubChem CID 44585644) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
PubChem CID44585644
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)o2)CC1
InChIInChI=1S/C22H22N2O3/c1-23-13-15-24(16-14-23)22(25)21-12-11-20(27-21)17-7-9-19(10-8-17)26-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3
InChIKeyVVVXZWWMQARKOK-UHFFFAOYSA-N
XLogP4.13
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methylpiperazin-1-yl)-(5-phenylfuran-2-yl)methanone;hydrochloride
CID 163329487
[5-(4-phenoxyphenyl)furan-2-yl]-piperazin-1-ylmethanone
CID 44585671
[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanone
CID 131899516
cyclopropyl-[4-(5-phenylfuran-2-carbonyl)piperazin-1-yl]methanone
CID 166208842
[5-(4-methoxyphenyl)furan-2-yl]-[4-(3-methyl-4-pyridinyl)piperazin-1-yl]methanone
CID 131933568
[5-[5-(pyrrolidine-1-carbonyl)furan-2-yl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 134697428
1-(4-methylpiperazin-1-yl)-3-(4-phenoxyphenyl)propan-2-one;dihydrochloride
CID 70274690
(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 56752988
[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[5-(4-aminophenyl)furan-2-yl]-piperidin-1-ylmethanone
CID 70036380
[4-(2-ethoxyphenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 35514584

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone (CID 44585644) is (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone is CN1CCN(C(=O)c2ccc(-c3ccc(Oc4ccccc4)cc3)o2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone?
The InChIKey is VVVXZWWMQARKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-23-13-15-24(16-14-23)22(25)21-12-11-20(27-21)17-7-9-19(10-8-17)26-18-5-3-2-4-6-18/h2-12H,13-16H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone?
(4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone has a molecular weight of 362.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[5-(4-phenoxyphenyl)furan-2-yl]methanone is sourced from PubChem (CID 44585644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).