N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide

C25H25F2N3O — CID 4984504

IUPACN-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25F2N3O/c26-22-10-6-20(7-11-22)24(21-8-12-23(27)13-9-21)29-14-16-30(17-15-29)25(31)28-18-19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,28,31)
InChIKeyRFPCNQJIUZMCDW-UHFFFAOYSA-N
MW421.49 g/mol
LogP4.58
Rot. Bonds5

About N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide

N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 4984504) has the molecular formula C25H25F2N3O and a molecular weight of 421.49 g/mol. Its IUPAC name is N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID4984504
Molecular FormulaC25H25F2N3O
Molecular Weight421.49 g/mol
Exact Mass421.20
IUPAC NameN-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H25F2N3O/c26-22-10-6-20(7-11-22)24(21-8-12-23(27)13-9-21)29-14-16-30(17-15-29)25(31)28-18-19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,28,31)
InChIKeyRFPCNQJIUZMCDW-UHFFFAOYSA-N
XLogP4.58
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 4984504) is N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is RFPCNQJIUZMCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N3O/c26-22-10-6-20(7-11-22)24(21-8-12-23(27)13-9-21)29-14-16-30(17-15-29)25(31)28-18-19-4-2-1-3-5-19/h1-13,24H,14-18H2,(H,28,31).
What are the key properties of N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide?
N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[bis(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 4984504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).