N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

C15H22FN3O — CID 80550035

IUPACN-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(C(=O)C(C)(C)N1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-15(2,19-10-8-17-9-11-19)14(20)18(3)13-6-4-12(16)5-7-13/h4-7,17H,8-11H2,1-3H3
InChIKeyLGIBWTSYHIJBQU-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.47
Rot. Bonds3

About N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide

N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (PubChem CID 80550035) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
PubChem CID80550035
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
SMILESCN(C(=O)C(C)(C)N1CCNCC1)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3O/c1-15(2,19-10-8-17-9-11-19)14(20)18(3)13-6-4-12(16)5-7-13/h4-7,17H,8-11H2,1-3H3
InChIKeyLGIBWTSYHIJBQU-UHFFFAOYSA-N
XLogP1.47
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethylphenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80547263
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
1-(2-bromo-4-fluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 116599131
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599252
N-(furan-3-ylmethyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548872
N-(2-hydroxy-2-methylpropyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80551052
4-[[(4-fluorophenyl)-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 62050050
N,2-dimethyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)propanamide
CID 80548409
1-(3,5-difluorophenyl)-3-methyl-3-piperazin-1-ylbutan-2-one
CID 105412044
N-[2-(dimethylamino)-2-oxoethyl]-N,2-dimethyl-2-piperazin-1-ylpropanamide
CID 80548281
N-(4-chlorophenyl)-N-methylpiperazine-1-carboxamide
CID 115171510
N,2-dimethyl-N-[(3-methylphenyl)methyl]-2-piperazin-1-ylpropanamide
CID 80547402

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide (CID 80550035) is N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is CN(C(=O)C(C)(C)N1CCNCC1)c1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
The InChIKey is LGIBWTSYHIJBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(2,19-10-8-17-9-11-19)14(20)18(3)13-6-4-12(16)5-7-13/h4-7,17H,8-11H2,1-3H3.
What are the key properties of N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide?
N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide has a molecular weight of 279.36 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-N,2-dimethyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 80550035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).