2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

C23H35N3O5 — CID 24790861

IUPAC2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)CCC2CCOCC2)cc1OC
InChIInChI=1S/C23H35N3O5/c1-25(10-6-17-7-12-31-13-8-17)22(27)15-19-23(28)24-9-11-26(19)16-18-4-5-20(29-2)21(14-18)30-3/h4-5,14,17,19H,6-13,15-16H2,1-3H3,(H,24,28)
InChIKeyQMMUMUHEFZBKQR-UHFFFAOYSA-N
MW433.55 g/mol
LogP1.67
Rot. Bonds9

About 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide

2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (PubChem CID 24790861) has the molecular formula C23H35N3O5 and a molecular weight of 433.55 g/mol. Its IUPAC name is 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
PubChem CID24790861
Molecular FormulaC23H35N3O5
Molecular Weight433.55 g/mol
Exact Mass433.26
IUPAC Name2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
SMILESCOc1ccc(CN2CCNC(=O)C2CC(=O)N(C)CCC2CCOCC2)cc1OC
InChIInChI=1S/C23H35N3O5/c1-25(10-6-17-7-12-31-13-8-17)22(27)15-19-23(28)24-9-11-26(19)16-18-4-5-20(29-2)21(14-18)30-3/h4-5,14,17,19H,6-13,15-16H2,1-3H3,(H,24,28)
InChIKeyQMMUMUHEFZBKQR-UHFFFAOYSA-N
XLogP1.67
TPSA80.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The IUPAC name of 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide (CID 24790861) is 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is COc1ccc(CN2CCNC(=O)C2CC(=O)N(C)CCC2CCOCC2)cc1OC.
What is the InChIKey of 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
The InChIKey is QMMUMUHEFZBKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O5/c1-25(10-6-17-7-12-31-13-8-17)22(27)15-19-23(28)24-9-11-26(19)16-18-4-5-20(29-2)21(14-18)30-3/h4-5,14,17,19H,6-13,15-16H2,1-3H3,(H,24,28).
What are the key properties of 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide?
2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide has a molecular weight of 433.55 g/mol, XLogP of 1.67, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,4-dimethoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide is sourced from PubChem (CID 24790861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).