(4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone

C23H26N2O2 — CID 1034152

IUPAC(4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1cc2oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2cc1C
InChIInChI=1S/C23H26N2O2/c1-16-13-20-18(3)22(27-21(20)14-17(16)2)23(26)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyVEBPWLUACARXNV-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.32
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone

(4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone (PubChem CID 1034152) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
PubChem CID1034152
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone
SMILESCc1cc2oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2cc1C
InChIInChI=1S/C23H26N2O2/c1-16-13-20-18(3)22(27-21(20)14-17(16)2)23(26)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3
InChIKeyVEBPWLUACARXNV-UHFFFAOYSA-N
XLogP4.32
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.32
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)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone (CID 1034152) is (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone is Cc1cc2oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2cc1C.
What is the InChIKey of (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
The InChIKey is VEBPWLUACARXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16-13-20-18(3)22(27-21(20)14-17(16)2)23(26)25-11-9-24(10-12-25)15-19-7-5-4-6-8-19/h4-8,13-14H,9-12,15H2,1-3H3.
What are the key properties of (4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone?
(4-benzylpiperazin-1-yl)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone has a molecular weight of 362.47 g/mol, XLogP of 4.32, 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)-(3,5,6-trimethyl-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 1034152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).