N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

C22H29N3O4 — CID 1149662

IUPACN-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O4/c1-27-17-8-9-20(28-2)18(16-17)23-22(26)10-11-24-12-14-25(15-13-24)19-6-4-5-7-21(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyRUHQTGPGWDDYBK-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.86
Rot. Bonds8

About N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide

N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 1149662) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID1149662
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3OC)CC2)c1
InChIInChI=1S/C22H29N3O4/c1-27-17-8-9-20(28-2)18(16-17)23-22(26)10-11-24-12-14-25(15-13-24)19-6-4-5-7-21(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26)
InChIKeyRUHQTGPGWDDYBK-UHFFFAOYSA-N
XLogP2.86
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide (CID 1149662) is N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3OC)CC2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is RUHQTGPGWDDYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-17-8-9-20(28-2)18(16-17)23-22(26)10-11-24-12-14-25(15-13-24)19-6-4-5-7-21(19)29-3/h4-9,16H,10-15H2,1-3H3,(H,23,26).
What are the key properties of N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide?
N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 399.49 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 1149662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).