N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide

C15H21F2N3O — CID 113110475

IUPACN-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-15(2,3)18-14(21)20-9-7-19(8-10-20)13-11(16)5-4-6-12(13)17/h4-6H,7-10H2,1-3H3,(H,18,21)
InChIKeyKEXUOUUOYQCREP-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.59
Rot. Bonds1

About N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide

N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113110475) has the molecular formula C15H21F2N3O and a molecular weight of 297.35 g/mol. Its IUPAC name is N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113110475
Molecular FormulaC15H21F2N3O
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC NameN-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C15H21F2N3O/c1-15(2,3)18-14(21)20-9-7-19(8-10-20)13-11(16)5-4-6-12(13)17/h4-6H,7-10H2,1-3H3,(H,18,21)
InChIKeyKEXUOUUOYQCREP-UHFFFAOYSA-N
XLogP2.59
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113112711
N-cyclopropyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113081283
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
N-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113103949
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
4-(3-aminophenyl)-N-tert-butylpiperazine-1-carboxamide
CID 43461736
N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
1-[4-(2,6-difluorophenyl)piperazin-1-yl]propan-1-one
CID 113081212
cyclopropyl-[4-(2,6-difluorophenyl)piperazin-1-yl]methanone
CID 113081215
4-(2,6-difluorophenyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 113103755
N-tert-butyl-4-[2-(2-fluorophenyl)acetyl]-1,4-diazepane-1-carboxamide
CID 110811839
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113110475) is N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide is CC(C)(C)NC(=O)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is KEXUOUUOYQCREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O/c1-15(2,3)18-14(21)20-9-7-19(8-10-20)13-11(16)5-4-6-12(13)17/h4-6H,7-10H2,1-3H3,(H,18,21).
What are the key properties of N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).