N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide

C21H26FN3O — CID 3228431

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-3-16(2)21(26)23-19-6-4-5-7-20(19)25-14-12-24(13-15-25)18-10-8-17(22)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyRBHLJBAYXIMOJE-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.14
Rot. Bonds5

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide (PubChem CID 3228431) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide
PubChem CID3228431
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H26FN3O/c1-3-16(2)21(26)23-19-6-4-5-7-20(19)25-14-12-24(13-15-25)18-10-8-17(22)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyRBHLJBAYXIMOJE-UHFFFAOYSA-N
XLogP4.14
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide (CID 3228431) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide is CCC(C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide?
The InChIKey is RBHLJBAYXIMOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-3-16(2)21(26)23-19-6-4-5-7-20(19)25-14-12-24(13-15-25)18-10-8-17(22)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide has a molecular weight of 355.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]phenyl]-2-methylbutanamide is sourced from PubChem (CID 3228431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).