4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

C25H32N4O6 — CID 651492

IUPAC4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)C(Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1
InChIInChI=1S/C25H32N4O6/c1-17(30)26-21(14-18-8-9-22(34-3)23(15-18)35-4)24(31)28-10-12-29(13-11-28)25(32)27-19-6-5-7-20(16-19)33-2/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,30)(H,27,32)
InChIKeyLNPIPTRJAKMKBI-UHFFFAOYSA-N
MW484.55 g/mol
LogP2.14
Rot. Bonds8

About 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 651492) has the molecular formula C25H32N4O6 and a molecular weight of 484.55 g/mol. Its IUPAC name is 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID651492
Molecular FormulaC25H32N4O6
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(=O)C(Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1
InChIInChI=1S/C25H32N4O6/c1-17(30)26-21(14-18-8-9-22(34-3)23(15-18)35-4)24(31)28-10-12-29(13-11-28)25(32)27-19-6-5-7-20(16-19)33-2/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,30)(H,27,32)
InChIKeyLNPIPTRJAKMKBI-UHFFFAOYSA-N
XLogP2.14
TPSA109.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 651492) is 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(C(=O)C(Cc3ccc(OC)c(OC)c3)NC(C)=O)CC2)c1.
What is the InChIKey of 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LNPIPTRJAKMKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O6/c1-17(30)26-21(14-18-8-9-22(34-3)23(15-18)35-4)24(31)28-10-12-29(13-11-28)25(32)27-19-6-5-7-20(16-19)33-2/h5-9,15-16,21H,10-14H2,1-4H3,(H,26,30)(H,27,32).
What are the key properties of 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 484.55 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 651492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).