4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide

C17H23F2N3O2 — CID 71911174

IUPAC4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)N(C)C)CC1)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-12(14-5-4-13(18)11-15(14)19)10-16(23)21-6-8-22(9-7-21)17(24)20(2)3/h4-5,11-12H,6-10H2,1-3H3
InChIKeyNMNSVOSVJCTLSE-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.28
Rot. Bonds3

About 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 71911174) has the molecular formula C17H23F2N3O2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID71911174
Molecular FormulaC17H23F2N3O2
Molecular Weight339.39 g/mol
Exact Mass339.18
IUPAC Name4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCC(CC(=O)N1CCN(C(=O)N(C)C)CC1)c1ccc(F)cc1F
InChIInChI=1S/C17H23F2N3O2/c1-12(14-5-4-13(18)11-15(14)19)10-16(23)21-6-8-22(9-7-21)17(24)20(2)3/h4-5,11-12H,6-10H2,1-3H3
InChIKeyNMNSVOSVJCTLSE-UHFFFAOYSA-N
XLogP2.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(3-fluorophenyl)-3-methylbutanoyl]-N,N-dimethylpiperazine-1-carboxamide
CID 71866997
3-(2,4-difluorophenyl)-1-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one
CID 166403277
1-[2-[3-(2,4-difluorophenyl)butanoyl-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525502
3-amino-1-[4-[1-(2,4-difluorophenyl)propyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119894411
3-(4-chloro-2-fluorophenyl)-1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butan-1-one
CID 130471020
2-[1-(2,4-difluorophenyl)ethylamino]-1-pyrrolidin-1-ylethanone
CID 115573568
3-amino-1-[4-[1-(2,4-difluorophenyl)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 119953698
4-(2,4-difluoroanilino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262257
3-[3-(2,4-difluorophenyl)butanoyl-methylamino]propanoic acid
CID 120525006
4-[[3-(2,4-difluorophenyl)butanoyl-methylamino]methyl]benzoic acid
CID 120523745
(3R)-3-(2-fluorophenyl)-1-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]butan-1-one
CID 95348820
(3R)-3-(2,4-difluorophenyl)-1-[(2R,5R)-2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 97250606

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 71911174) is 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide is CC(CC(=O)N1CCN(C(=O)N(C)C)CC1)c1ccc(F)cc1F.
What is the InChIKey of 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is NMNSVOSVJCTLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2N3O2/c1-12(14-5-4-13(18)11-15(14)19)10-16(23)21-6-8-22(9-7-21)17(24)20(2)3/h4-5,11-12H,6-10H2,1-3H3.
What are the key properties of 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 339.39 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,4-difluorophenyl)butanoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 71911174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).