(4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone

C17H20N2O2 — CID 716180

IUPAC(4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O2/c1-14-16(7-12-21-14)17(20)19-10-8-18(9-11-19)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyZDBPISSHVYOCEJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.55
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone

(4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone (PubChem CID 716180) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone
PubChem CID716180
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H20N2O2/c1-14-16(7-12-21-14)17(20)19-10-8-18(9-11-19)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3
InChIKeyZDBPISSHVYOCEJ-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)-(2-methylfuran-3-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone (CID 716180) is (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
The InChIKey is ZDBPISSHVYOCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-14-16(7-12-21-14)17(20)19-10-8-18(9-11-19)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(2-methylfuran-3-yl)methanone?
(4-benzylpiperazin-1-yl)-(2-methylfuran-3-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)-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 716180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).