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

C20H23F2N3O2 — CID 113113918

IUPAC4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H23F2N3O2/c1-14(2)27-18-9-4-3-8-17(18)23-20(26)25-12-10-24(11-13-25)19-15(21)6-5-7-16(19)22/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyBNCYIHIKQKOUPQ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.11
Rot. Bonds4

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

4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (PubChem CID 113113918) has the molecular formula C20H23F2N3O2 and a molecular weight of 375.42 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
PubChem CID113113918
Molecular FormulaC20H23F2N3O2
Molecular Weight375.42 g/mol
Exact Mass375.18
IUPAC Name4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)N1CCN(c2c(F)cccc2F)CC1
InChIInChI=1S/C20H23F2N3O2/c1-14(2)27-18-9-4-3-8-17(18)23-20(26)25-12-10-24(11-13-25)19-15(21)6-5-7-16(19)22/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyBNCYIHIKQKOUPQ-UHFFFAOYSA-N
XLogP4.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
4-[2-(2-fluorophenyl)ethyl]-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113108978
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
methyl 4-[4-[(2-propan-2-yloxyphenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113113907
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112535
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
4-(3-phenylpropyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113110129
N-butan-2-yl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113104407
N-phenyl-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113077661
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N-[2-(difluoromethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111424799
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide (CID 113113918) is 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is CC(C)Oc1ccccc1NC(=O)N1CCN(c2c(F)cccc2F)CC1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide?
The InChIKey is BNCYIHIKQKOUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O2/c1-14(2)27-18-9-4-3-8-17(18)23-20(26)25-12-10-24(11-13-25)19-15(21)6-5-7-16(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-yloxyphenyl)piperazine-1-carboxamide?
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide has a molecular weight of 375.42 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113113918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).