N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide

C24H30FN3O4 — CID 4026039

IUPACN-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
SMILESCOc1ccc(NC(=O)CC(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C24H30FN3O4/c1-17(14-23(29)26-21-9-8-20(31-2)16-22(21)32-3)15-24(30)28-12-10-27(11-13-28)19-6-4-18(25)5-7-19/h4-9,16-17H,10-15H2,1-3H3,(H,26,29)
InChIKeyVLWBVHFZQKMXMP-UHFFFAOYSA-N
MW443.52 g/mol
LogP3.55
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide

N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide (PubChem CID 4026039) has the molecular formula C24H30FN3O4 and a molecular weight of 443.52 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
PubChem CID4026039
Molecular FormulaC24H30FN3O4
Molecular Weight443.52 g/mol
Exact Mass443.22
IUPAC NameN-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
SMILESCOc1ccc(NC(=O)CC(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1
InChIInChI=1S/C24H30FN3O4/c1-17(14-23(29)26-21-9-8-20(31-2)16-22(21)32-3)15-24(30)28-12-10-27(11-13-28)19-6-4-18(25)5-7-19/h4-9,16-17H,10-15H2,1-3H3,(H,26,29)
InChIKeyVLWBVHFZQKMXMP-UHFFFAOYSA-N
XLogP3.55
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-oxopropanamide
CID 108952804
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029
2-(4-fluoro-2-methylanilino)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18096733
N-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 1075987
(3R)-N-(2,4-dimethoxyphenyl)-3-methyl-N'-(4-propan-2-ylphenyl)pentanediamide
CID 7323922
(3S)-N-[(1R)-1-(1-adamantyl)ethyl]-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide
CID 41242861
1-(2,4-dimethoxyphenyl)-3-[4-(4-hexanoylpiperazin-1-yl)phenyl]urea
CID 3537073
2-(2,4-dimethoxyphenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18104397
ethyl 3-[(2,4-dimethoxyphenyl)carbamoylamino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoate
CID 46371760
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(2,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide
CID 6466970
N-(2,4-dimethoxyphenyl)-3-(4-fluorophenyl)propanamide
CID 27844760

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide (CID 4026039) is N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide is COc1ccc(NC(=O)CC(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
The InChIKey is VLWBVHFZQKMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O4/c1-17(14-23(29)26-21-9-8-20(31-2)16-22(21)32-3)15-24(30)28-12-10-27(11-13-28)19-6-4-18(25)5-7-19/h4-9,16-17H,10-15H2,1-3H3,(H,26,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide?
N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide has a molecular weight of 443.52 g/mol, XLogP of 3.55, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-[4-(4-fluorophenyl)piperazin-1-yl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 4026039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).