2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide

C25H32FN3O2 — CID 55682595

IUPAC2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H32FN3O2/c1-3-7-23(21-8-5-4-6-9-21)27-25(31)19(2)28-14-16-29(17-15-28)24(30)18-20-10-12-22(26)13-11-20/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,27,31)
InChIKeyOHXHIYIHDNIZAL-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.56
Rot. Bonds8

About 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide

2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide (PubChem CID 55682595) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
PubChem CID55682595
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide
SMILESCCCC(NC(=O)C(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1)c1ccccc1
InChIInChI=1S/C25H32FN3O2/c1-3-7-23(21-8-5-4-6-9-21)27-25(31)19(2)28-14-16-29(17-15-28)24(30)18-20-10-12-22(26)13-11-20/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,27,31)
InChIKeyOHXHIYIHDNIZAL-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-phenylbutyl]propanamide
CID 9276310
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 75744030
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 46444743
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-hydroxy-2-phenylacetamide
CID 163876395
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9346063
(2R)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348711
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-[(1R)-1-phenylbutyl]propanamide
CID 9348715
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3,3-diphenylpropan-1-one
CID 55657332
2-(4-fluoroanilino)-N-(1-phenylbutyl)propanamide
CID 134030963
N-(3-chloro-2-methylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 55682346
N-(cyclohexylcarbamoyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]propanamide
CID 46444767
2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-N-propylpropanamide
CID 51107206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
The IUPAC name of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide (CID 55682595) is 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide.
What is the SMILES notation for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
The canonical SMILES for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide is CCCC(NC(=O)C(C)N1CCN(C(=O)Cc2ccc(F)cc2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
The InChIKey is OHXHIYIHDNIZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-3-7-23(21-8-5-4-6-9-21)27-25(31)19(2)28-14-16-29(17-15-28)24(30)18-20-10-12-22(26)13-11-20/h4-6,8-13,19,23H,3,7,14-18H2,1-2H3,(H,27,31).
What are the key properties of 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide?
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide has a molecular weight of 425.55 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(1-phenylbutyl)propanamide is sourced from PubChem (CID 55682595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).