2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide

C23H30N4O3 — CID 10716502

IUPAC2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H30N4O3/c1-25(2)23(29)18-8-4-5-9-19(18)24-22(28)12-13-26-14-16-27(17-15-26)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3,(H,24,28)
InChIKeyIUHSDXDFPGLZMT-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.55
Rot. Bonds7

About 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide

2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide (PubChem CID 10716502) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide
PubChem CID10716502
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide
SMILESCOc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1
InChIInChI=1S/C23H30N4O3/c1-25(2)23(29)18-8-4-5-9-19(18)24-22(28)12-13-26-14-16-27(17-15-26)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3,(H,24,28)
InChIKeyIUHSDXDFPGLZMT-UHFFFAOYSA-N
XLogP2.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide (CID 10716502) is 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide is COc1ccccc1N1CCN(CCC(=O)Nc2ccccc2C(=O)N(C)C)CC1.
What is the InChIKey of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide?
The InChIKey is IUHSDXDFPGLZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-25(2)23(29)18-8-4-5-9-19(18)24-22(28)12-13-26-14-16-27(17-15-26)20-10-6-7-11-21(20)30-3/h4-11H,12-17H2,1-3H3,(H,24,28).
What are the key properties of 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide?
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propanoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 10716502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).