4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide

C26H34N4O5 — CID 6487380

IUPAC4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C26H34N4O5/c1-17-7-5-6-8-21(17)29-26(33)30-13-11-20(12-14-30)28-25(32)22(27-18(2)31)15-19-9-10-23(34-3)24(16-19)35-4/h5-10,16,20,22H,11-15H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyMMKYSSBGYLAIBH-UHFFFAOYSA-N
MW482.58 g/mol
LogP2.87
Rot. Bonds8

About 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide

4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide (PubChem CID 6487380) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
PubChem CID6487380
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1OC
InChIInChI=1S/C26H34N4O5/c1-17-7-5-6-8-21(17)29-26(33)30-13-11-20(12-14-30)28-25(32)22(27-18(2)31)15-19-9-10-23(34-3)24(16-19)35-4/h5-10,16,20,22H,11-15H2,1-4H3,(H,27,31)(H,28,32)(H,29,33)
InChIKeyMMKYSSBGYLAIBH-UHFFFAOYSA-N
XLogP2.87
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide (CID 6487380) is 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide is COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)Nc3ccccc3C)CC2)cc1OC.
What is the InChIKey of 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
The InChIKey is MMKYSSBGYLAIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-17-7-5-6-8-21(17)29-26(33)30-13-11-20(12-14-30)28-25(32)22(27-18(2)31)15-19-9-10-23(34-3)24(16-19)35-4/h5-10,16,20,22H,11-15H2,1-4H3,(H,27,31)(H,28,32)(H,29,33).
What are the key properties of 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide?
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(2-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 6487380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).