N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide

C18H20FN3O — CID 858191

IUPACN-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(23)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)
InChIKeyTVLAIWHENUXQCB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.86
Rot. Bonds3

About N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide

N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide (PubChem CID 858191) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide
PubChem CID858191
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC NameN-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H20FN3O/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(23)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23)
InChIKeyTVLAIWHENUXQCB-UHFFFAOYSA-N
XLogP2.86
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide (CID 858191) is N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is TVLAIWHENUXQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-16-6-8-17(9-7-16)21-10-12-22(13-11-21)18(23)20-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H,20,23).
What are the key properties of N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide?
N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(4-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 858191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).