2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

C17H23FN4O3 — CID 60505965

IUPAC2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C17H23FN4O3/c1-11-4-5-13(10-14(11)18)16(24)22-8-6-21(7-9-22)12(2)15(23)20-17(25)19-3/h4-5,10,12H,6-9H2,1-3H3,(H2,19,20,23,25)
InChIKeyKPNNPFAOAIVROC-UHFFFAOYSA-N
MW350.39 g/mol
LogP0.74
Rot. Bonds3

About 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (PubChem CID 60505965) has the molecular formula C17H23FN4O3 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
PubChem CID60505965
Molecular FormulaC17H23FN4O3
Molecular Weight350.39 g/mol
Exact Mass350.18
IUPAC Name2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1
InChIInChI=1S/C17H23FN4O3/c1-11-4-5-13(10-14(11)18)16(24)22-8-6-21(7-9-22)12(2)15(23)20-17(25)19-3/h4-5,10,12H,6-9H2,1-3H3,(H2,19,20,23,25)
InChIKeyKPNNPFAOAIVROC-UHFFFAOYSA-N
XLogP0.74
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 60505820
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 55841176
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]propanamide
CID 110750479
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]propanoic acid
CID 62317426
(2R)-N-(2,5-dimethylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]propanamide
CID 36877338
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]propanamide
CID 60502336
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 8703867
N-(4-chlorophenyl)-4-(3-fluoro-4-methylbenzoyl)piperazine-1-carboxamide
CID 47049586
2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]propanethioamide
CID 63340378
[4-(1-chloroethyl)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 106838877
N-(methylcarbamoyl)-2-[4-(2-methylphenyl)piperazin-1-yl]propanamide
CID 18086306
(3-bromophenyl)-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55878769

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide (CID 60505965) is 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N1CCN(C(=O)c2ccc(C)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
The InChIKey is KPNNPFAOAIVROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3/c1-11-4-5-13(10-14(11)18)16(24)22-8-6-21(7-9-22)12(2)15(23)20-17(25)19-3/h4-5,10,12H,6-9H2,1-3H3,(H2,19,20,23,25).
What are the key properties of 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide?
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide has a molecular weight of 350.39 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 60505965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).