N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide

C19H22FN3O — CID 17380144

IUPACN-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-15-2-4-16(5-3-15)19(24)21-14-22-10-12-23(13-11-22)18-8-6-17(20)7-9-18/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZXGPVGUZQLIUOB-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.64
Rot. Bonds4

About N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide

N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide (PubChem CID 17380144) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
PubChem CID17380144
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C19H22FN3O/c1-15-2-4-16(5-3-15)19(24)21-14-22-10-12-23(13-11-22)18-8-6-17(20)7-9-18/h2-9H,10-14H2,1H3,(H,21,24)
InChIKeyZXGPVGUZQLIUOB-UHFFFAOYSA-N
XLogP2.64
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide (CID 17380144) is N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
The InChIKey is ZXGPVGUZQLIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-15-2-4-16(5-3-15)19(24)21-14-22-10-12-23(13-11-22)18-8-6-17(20)7-9-18/h2-9H,10-14H2,1H3,(H,21,24).
What are the key properties of N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide?
N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide has a molecular weight of 327.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 17380144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).