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

C25H32N4O4 — CID 6487303

IUPAC4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(NC(=O)C(Cc3cccc(C)c3)NC(C)=O)CC2)c1
InChIInChI=1S/C25H32N4O4/c1-17-6-4-7-19(14-17)15-23(26-18(2)30)24(31)27-20-10-12-29(13-11-20)25(32)28-21-8-5-9-22(16-21)33-3/h4-9,14,16,20,23H,10-13,15H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyJINBGGYTZPGZOU-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.86
Rot. Bonds7

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

4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide (PubChem CID 6487303) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide
PubChem CID6487303
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCC(NC(=O)C(Cc3cccc(C)c3)NC(C)=O)CC2)c1
InChIInChI=1S/C25H32N4O4/c1-17-6-4-7-19(14-17)15-23(26-18(2)30)24(31)27-20-10-12-29(13-11-20)25(32)28-21-8-5-9-22(16-21)33-3/h4-9,14,16,20,23H,10-13,15H2,1-3H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyJINBGGYTZPGZOU-UHFFFAOYSA-N
XLogP2.86
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide (CID 6487303) is 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide is COc1cccc(NC(=O)N2CCC(NC(=O)C(Cc3cccc(C)c3)NC(C)=O)CC2)c1.
What is the InChIKey of 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
The InChIKey is JINBGGYTZPGZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-17-6-4-7-19(14-17)15-23(26-18(2)30)24(31)27-20-10-12-29(13-11-20)25(32)28-21-8-5-9-22(16-21)33-3/h4-9,14,16,20,23H,10-13,15H2,1-3H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide?
4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 2.86, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-acetamido-3-(3-methylphenyl)propanoyl]amino]-N-(3-methoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 6487303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).