N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide

C23H29N3O3 — CID 113128930

IUPACN-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCOc1cccc(N(CCC(=O)N2CCN(c3cccc(C)c3)CC2)C(C)=O)c1
InChIInChI=1S/C23H29N3O3/c1-18-6-4-7-20(16-18)24-12-14-25(15-13-24)23(28)10-11-26(19(2)27)21-8-5-9-22(17-21)29-3/h4-9,16-17H,10-15H2,1-3H3
InChIKeyYIMRGDUNBGHTEO-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.10
Rot. Bonds6

About N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide

N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide (PubChem CID 113128930) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
PubChem CID113128930
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
SMILESCOc1cccc(N(CCC(=O)N2CCN(c3cccc(C)c3)CC2)C(C)=O)c1
InChIInChI=1S/C23H29N3O3/c1-18-6-4-7-20(16-18)24-12-14-25(15-13-24)23(28)10-11-26(19(2)27)21-8-5-9-22(17-21)29-3/h4-9,16-17H,10-15H2,1-3H3
InChIKeyYIMRGDUNBGHTEO-UHFFFAOYSA-N
XLogP3.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(N-acetyl-3-methylanilino)propanoyl]piperazine-1-carboxylate
CID 113123786
1-(2,5-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9372365
N-(2-methoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173166
N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-N-propylmethanesulfonamide
CID 113135910
N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
CID 113123776
N-(4-ethoxyphenyl)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113173909
ethyl 4-[2-(N-acetyl-3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 113173356
N-[4-(dimethylamino)phenyl]-N-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113176706
3-[butyl(methyl)amino]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029274
N-[3-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-(3-methylphenyl)acetamide
CID 113123798
N-(2-cyanoethyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]-4-oxo-N-phenylbutanamide
CID 56574935
3-(4-methoxyphenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 8001578

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide (CID 113128930) is N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide is COc1cccc(N(CCC(=O)N2CCN(c3cccc(C)c3)CC2)C(C)=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
The InChIKey is YIMRGDUNBGHTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-6-4-7-20(16-18)24-12-14-25(15-13-24)23(28)10-11-26(19(2)27)21-8-5-9-22(17-21)29-3/h4-9,16-17H,10-15H2,1-3H3.
What are the key properties of N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide?
N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide is sourced from PubChem (CID 113128930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).