4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide

C20H23F2N3O — CID 113112333

IUPAC4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H23F2N3O/c1-14(2)15-6-3-4-9-18(15)23-20(26)25-12-10-24(11-13-25)19-16(21)7-5-8-17(19)22/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyQYQIKNVXTMYEHL-UHFFFAOYSA-N
MW359.42 g/mol
LogP4.44
Rot. Bonds3

About 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide

4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 113112333) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID113112333
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCC(C)c1ccccc1NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H23F2N3O/c1-14(2)15-6-3-4-9-18(15)23-20(26)25-12-10-24(11-13-25)19-16(21)7-5-8-17(19)22/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyQYQIKNVXTMYEHL-UHFFFAOYSA-N
XLogP4.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(2-propan-2-ylphenyl)morpholine-4-carboxamide
CID 3684146
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112535
4-[2-(dimethylamino)ethyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113105696
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
4-methyl-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 108987988
N-(2-propan-2-ylphenyl)-2,5-dihydropyrrole-1-carboxamide
CID 3784138
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
N-(2,3-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111919
4-(5-methyl-1,2-oxazol-3-yl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112335
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide (CID 113112333) is 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccccc1NC(=O)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is QYQIKNVXTMYEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-14(2)15-6-3-4-9-18(15)23-20(26)25-12-10-24(11-13-25)19-16(21)7-5-8-17(19)22/h3-9,14H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide?
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 359.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).