N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide

C21H24FN3O2 — CID 8967289

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-16-4-2-3-5-19(16)21(27)23-11-10-20(26)25-14-12-24(13-15-25)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyIKABAJRUFRDFKQ-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.60
Rot. Bonds5

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide (PubChem CID 8967289) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
PubChem CID8967289
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H24FN3O2/c1-16-4-2-3-5-19(16)21(27)23-11-10-20(26)25-14-12-24(13-15-25)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3,(H,23,27)
InChIKeyIKABAJRUFRDFKQ-UHFFFAOYSA-N
XLogP2.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-3-oxopropyl]-2-methylbenzamide
CID 37016302
2-cyclobutyloxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 86971742
2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 8868826
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78902413
2-chloro-N-[2-[[C-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111165221
3-(ethylamino)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 62832473
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-4-(methylamino)butanamide
CID 119858786
(2S)-2-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3,3-dimethylbutanamide
CID 119858800
2-methyl-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzamide
CID 16889214
3-amino-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]butanamide;dihydrochloride
CID 119858817
1-butyl-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111149984
1-[(4-fluorophenyl)methyl]-3-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylguanidine
CID 111231401

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide (CID 8967289) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is IKABAJRUFRDFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-16-4-2-3-5-19(16)21(27)23-11-10-20(26)25-14-12-24(13-15-25)18-8-6-17(22)7-9-18/h2-9H,10-15H2,1H3,(H,23,27).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 369.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 8967289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).