1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate

C19H24N2O3 — CID 4876039

IUPAC1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate
SMILESCC(CN1CCN(Cc2ccccc2)CC1)OC(=O)c1ccco1
InChIInChI=1S/C19H24N2O3/c1-16(24-19(22)18-8-5-13-23-18)14-20-9-11-21(12-10-20)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyHAWPSLKOAHRPCO-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.64
Rot. Bonds6

About 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate

1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate (PubChem CID 4876039) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate
PubChem CID4876039
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate
SMILESCC(CN1CCN(Cc2ccccc2)CC1)OC(=O)c1ccco1
InChIInChI=1S/C19H24N2O3/c1-16(24-19(22)18-8-5-13-23-18)14-20-9-11-21(12-10-20)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3
InChIKeyHAWPSLKOAHRPCO-UHFFFAOYSA-N
XLogP2.64
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate (CID 4876039) is 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate is CC(CN1CCN(Cc2ccccc2)CC1)OC(=O)c1ccco1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate?
The InChIKey is HAWPSLKOAHRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-16(24-19(22)18-8-5-13-23-18)14-20-9-11-21(12-10-20)15-17-6-3-2-4-7-17/h2-8,13,16H,9-12,14-15H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate?
1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)propan-2-yl furan-2-carboxylate is sourced from PubChem (CID 4876039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).