4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide

C30H31N3O2 — CID 44535201

IUPAC4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H31N3O2/c34-30(31-22-28-12-7-21-35-28)27-15-13-24(14-16-27)23-32-17-19-33(20-18-32)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-16,21,29H,17-20,22-23H2,(H,31,34)
InChIKeyCNBXNALQSWTMRI-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.12
Rot. Bonds8

About 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide

4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 44535201) has the molecular formula C30H31N3O2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID44535201
Molecular FormulaC30H31N3O2
Molecular Weight465.60 g/mol
Exact Mass465.24
IUPAC Name4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C30H31N3O2/c34-30(31-22-28-12-7-21-35-28)27-15-13-24(14-16-27)23-32-17-19-33(20-18-32)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-16,21,29H,17-20,22-23H2,(H,31,34)
InChIKeyCNBXNALQSWTMRI-UHFFFAOYSA-N
XLogP5.12
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide (CID 44535201) is 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is CNBXNALQSWTMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O2/c34-30(31-22-28-12-7-21-35-28)27-15-13-24(14-16-27)23-32-17-19-33(20-18-32)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-16,21,29H,17-20,22-23H2,(H,31,34).
What are the key properties of 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide?
4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 465.60 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzhydrylpiperazin-1-yl)methyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 44535201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).