N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide

C20H24FN3O — CID 46100852

IUPACN-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(c1ccccc1)N1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c1-16(17-7-3-2-4-8-17)23-11-13-24(14-12-23)20(25)22-15-18-9-5-6-10-19(18)21/h2-10,16H,11-15H2,1H3,(H,22,25)
InChIKeyLGXYIACKFXUZFB-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.41
Rot. Bonds4

About N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide (PubChem CID 46100852) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
PubChem CID46100852
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide
SMILESCC(c1ccccc1)N1CCN(C(=O)NCc2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c1-16(17-7-3-2-4-8-17)23-11-13-24(14-12-23)20(25)22-15-18-9-5-6-10-19(18)21/h2-10,16H,11-15H2,1H3,(H,22,25)
InChIKeyLGXYIACKFXUZFB-UHFFFAOYSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide (CID 46100852) is N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide is CC(c1ccccc1)N1CCN(C(=O)NCc2ccccc2F)CC1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide?
The InChIKey is LGXYIACKFXUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16(17-7-3-2-4-8-17)23-11-13-24(14-12-23)20(25)22-15-18-9-5-6-10-19(18)21/h2-10,16H,11-15H2,1H3,(H,22,25).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(1-phenylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 46100852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).