4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide

C17H24FN3O2 — CID 110421794

IUPAC4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-2-9-19-17(23)21-12-10-20(11-13-21)16(22)8-5-14-3-6-15(18)7-4-14/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,23)
InChIKeyAAHIFKNXBRTHLM-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.02
Rot. Bonds5

About 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide

4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide (PubChem CID 110421794) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
PubChem CID110421794
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide
SMILESCCCNC(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3O2/c1-2-9-19-17(23)21-12-10-20(11-13-21)16(22)8-5-14-3-6-15(18)7-4-14/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,23)
InChIKeyAAHIFKNXBRTHLM-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(4-fluorophenyl)acetyl]-N-propyl-1,4-diazepane-1-carboxamide
CID 110811568
4-[(4-fluorophenyl)methylsulfonyl]-N-propylpiperazine-1-carboxamide
CID 110811161
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
4-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-1-sulfonamide
CID 110611459
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
4-[3-(4-fluorophenyl)propanoyl]-N-phenyl-1,4-diazepane-1-carboxamide
CID 110811792
N-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide
CID 70476993
1-[4-[3-(4-fluorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 110797362
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115
1-[4-[3-(4-fluorophenyl)propyl]piperazin-1-yl]butan-1-one
CID 110413582

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide (CID 110421794) is 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide is CCCNC(=O)N1CCN(C(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide?
The InChIKey is AAHIFKNXBRTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-2-9-19-17(23)21-12-10-20(11-13-21)16(22)8-5-14-3-6-15(18)7-4-14/h3-4,6-7H,2,5,8-13H2,1H3,(H,19,23).
What are the key properties of 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide?
4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)propanoyl]-N-propylpiperazine-1-carboxamide is sourced from PubChem (CID 110421794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).