2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide

C23H28FN3O2 — CID 17309248

IUPAC2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-3-17(4-2)22(28)25-19-11-9-18(10-12-19)23(29)27-15-13-26(14-16-27)21-8-6-5-7-20(21)24/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,28)
InChIKeyGBJLONOJMULEKI-UHFFFAOYSA-N
MW397.49 g/mol
LogP4.16
Rot. Bonds6

About 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide

2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide (PubChem CID 17309248) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
PubChem CID17309248
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H28FN3O2/c1-3-17(4-2)22(28)25-19-11-9-18(10-12-19)23(29)27-15-13-26(14-16-27)21-8-6-5-7-20(21)24/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,28)
InChIKeyGBJLONOJMULEKI-UHFFFAOYSA-N
XLogP4.16
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1S,2R)-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 38765611
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 783844
(4-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17217763
[4-(2-fluorophenyl)piperazin-1-yl]-[4-(2-methylpropoxy)phenyl]methanone
CID 2995080
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzenecarbothioamide
CID 55821119
[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl] acetate
CID 798609
N-butan-2-yl-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 4069653
3-(2-fluorophenyl)-2-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110616962
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42936420
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide (CID 17309248) is 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide is CCC(CC)C(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide?
The InChIKey is GBJLONOJMULEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-17(4-2)22(28)25-19-11-9-18(10-12-19)23(29)27-15-13-26(14-16-27)21-8-6-5-7-20(21)24/h5-12,17H,3-4,13-16H2,1-2H3,(H,25,28).
What are the key properties of 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide?
2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide has a molecular weight of 397.49 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]phenyl]butanamide is sourced from PubChem (CID 17309248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).