4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide

C13H18FN3O — CID 3757399

IUPAC4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3O/c1-15(2)13(18)17-9-7-16(8-10-17)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3
InChIKeyYYUPHDVUGOJRSN-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.63
Rot. Bonds1

About 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide

4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 3757399) has the molecular formula C13H18FN3O and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
PubChem CID3757399
Molecular FormulaC13H18FN3O
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Name4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C13H18FN3O/c1-15(2)13(18)17-9-7-16(8-10-17)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3
InChIKeyYYUPHDVUGOJRSN-UHFFFAOYSA-N
XLogP1.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-sulfanylpropan-1-one
CID 107023626
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 119912513
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
1-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-piperidin-1-ylpropane-1,3-dione
CID 108958783
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504673
[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
3-[[C-[4-(2-fluorophenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N,N-dimethylpropanamide
CID 111148259

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide (CID 3757399) is 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is YYUPHDVUGOJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-15(2)13(18)17-9-7-16(8-10-17)12-6-4-3-5-11(12)14/h3-6H,7-10H2,1-2H3.
What are the key properties of 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide?
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 3757399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).