4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide

C15H22FN3O — CID 110290641

IUPAC4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-17(2)15(20)19-11-9-18(10-12-19)8-7-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3
InChIKeyRKRCHXYQDHLIFK-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.67
Rot. Bonds3

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

4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 110290641) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID110290641
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C15H22FN3O/c1-17(2)15(20)19-11-9-18(10-12-19)8-7-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3
InChIKeyRKRCHXYQDHLIFK-UHFFFAOYSA-N
XLogP1.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(4-fluorophenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110413646
4-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 52673339
4-[2-(4-fluorophenyl)-2-oxoethyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358984
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110290585
4-[3-(4-methoxyphenyl)propyl]-N,N-dimethylpiperazine-1-carboxamide
CID 110358322
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-2-phenylethanone
CID 110290610
1-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-3-methylsulfonylpropan-1-one
CID 110629304
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
N-ethyl-4-[4-(4-fluorophenyl)butyl]piperazine-1-carboxamide;hydrochloride
CID 70476620
[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 24811530
3-(4-fluorophenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]butan-1-one
CID 55924108
N-[2-(4-chlorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109096

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide (CID 110290641) is 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is RKRCHXYQDHLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-17(2)15(20)19-11-9-18(10-12-19)8-7-13-3-5-14(16)6-4-13/h3-6H,7-12H2,1-2H3.
What are the key properties of 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 110290641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).