N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide

C18H19F2N3O — CID 113106624

IUPACN-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F2N3O/c19-15-6-7-17(16(20)12-15)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyVLIUOOLOXOODKH-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.00
Rot. Bonds3

About N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide

N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113106624) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID113106624
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1
InChIInChI=1S/C18H19F2N3O/c19-15-6-7-17(16(20)12-15)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)
InChIKeyVLIUOOLOXOODKH-UHFFFAOYSA-N
XLogP3.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 108898587
N-benzyl-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113106639
4-(2,4-difluorophenyl)-N-(2,3-dihydro-1H-isoindol-5-ylmethyl)piperazine-1-carboxamide
CID 146081779
4-(2-fluorophenyl)-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 27517573
4-(2-ethylphenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107645
N-benzyl-4-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113106629
N-[(3-bromophenyl)methyl]-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 108898979
benzyl N-[2-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-oxoethyl]carbamate
CID 16748954
N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
4-(2,5-dichlorophenyl)-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107693
N-[[3-fluoro-4-(4-hydroxypiperidin-1-yl)phenyl]methyl]-4-phenyl-1,4-diazepane-1-carboxamide
CID 91641732

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide (CID 113106624) is N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide is O=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2F)CC1.
What is the InChIKey of N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is VLIUOOLOXOODKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-15-6-7-17(16(20)12-15)22-8-10-23(11-9-22)18(24)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24).
What are the key properties of N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide?
N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113106624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).