2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide

C23H30FN3O — CID 110353349

IUPAC2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
SMILESCCC(C(=O)NCC(c1ccccc1)N1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O/c1-3-21(18-9-11-20(24)12-10-18)23(28)25-17-22(19-7-5-4-6-8-19)27-15-13-26(2)14-16-27/h4-12,21-22H,3,13-17H2,1-2H3,(H,25,28)
InChIKeyRYTSSHFOIDXLNH-UHFFFAOYSA-N
MW383.51 g/mol
LogP3.42
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide

2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide (PubChem CID 110353349) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
PubChem CID110353349
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
SMILESCCC(C(=O)NCC(c1ccccc1)N1CCN(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O/c1-3-21(18-9-11-20(24)12-10-18)23(28)25-17-22(19-7-5-4-6-8-19)27-15-13-26(2)14-16-27/h4-12,21-22H,3,13-17H2,1-2H3,(H,25,28)
InChIKeyRYTSSHFOIDXLNH-UHFFFAOYSA-N
XLogP3.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828
N'-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N-methyloxamide
CID 18578296
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-propan-2-yloxamide
CID 30631931
3-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 43990763
N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812936
3,4-difluoro-N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 30441217
N-[(4-fluorophenyl)methyl]-N'-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]oxamide
CID 18578340
N-[(2R)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(4-methylphenyl)oxamide
CID 30632006
N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]pentanamide
CID 112503144
(2S)-2-[(4-fluorophenyl)methyl]-3-[[(2S)-2-phenylbutanoyl]amino]propanamide
CID 95583434
3-(4-fluorophenyl)-2-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)propanamide
CID 110302461
N-[(2S)-2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 30630679

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide (CID 110353349) is 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide is CCC(C(=O)NCC(c1ccccc1)N1CCN(C)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide?
The InChIKey is RYTSSHFOIDXLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-3-21(18-9-11-20(24)12-10-18)23(28)25-17-22(19-7-5-4-6-8-19)27-15-13-26(2)14-16-27/h4-12,21-22H,3,13-17H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide?
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide has a molecular weight of 383.51 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide is sourced from PubChem (CID 110353349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).