(4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone

C17H20N2O2 — CID 3638698

IUPAC(4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C17H20N2O2/c1-14-7-8-16(21-14)17(20)19-11-9-18(10-12-19)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyXNLKQXYURFHANS-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone

(4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 3638698) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone
PubChem CID3638698
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)o1
InChIInChI=1S/C17H20N2O2/c1-14-7-8-16(21-14)17(20)19-11-9-18(10-12-19)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3
InChIKeyXNLKQXYURFHANS-UHFFFAOYSA-N
XLogP2.55
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone (CID 3638698) is (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)o1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is XNLKQXYURFHANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-7-8-16(21-14)17(20)19-11-9-18(10-12-19)13-15-5-3-2-4-6-15/h2-8H,9-13H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 3638698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).