4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid

C29H32N4O6 — CID 69349640

About 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid

4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid (PubChem CID 69349640) has the molecular formula C29H32N4O6 and a molecular weight of 532.60 g/mol. Its IUPAC name is 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid
• PubChem CID: 69349640
• Molecular Formula: C29H32N4O6
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.23
• IUPAC Name: 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid
• SMILES: COC(=O)C1(NC(=O)c2cc3ccccc3cc2NC(=O)Nc2c(C)cc(C)cc2C)CCN(C(=O)O)CC1
• InChI: InChI=1S/C29H32N4O6/c1-17-13-18(2)24(19(3)14-17)31-27(36)30-23-16-21-8-6-5-7-20(21)15-22(23)25(34)32-29(26(35)39-4)9-11-33(12-10-29)28(37)38/h5-8,13-16H,9-12H2,1-4H3,(H,32,34)(H,37,38)(H2,30,31,36)
• InChIKey: YPKATCSIOOWOPU-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 137.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid?

The IUPAC name of 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid (CID 69349640) is 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid?

The canonical SMILES for 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid is COC(=O)C1(NC(=O)c2cc3ccccc3cc2NC(=O)Nc2c(C)cc(C)cc2C)CCN(C(=O)O)CC1.

What is the InChIKey of 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid?

The InChIKey is YPKATCSIOOWOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O6/c1-17-13-18(2)24(19(3)14-17)31-27(36)30-23-16-21-8-6-5-7-20(21)15-22(23)25(34)32-29(26(35)39-4)9-11-33(12-10-29)28(37)38/h5-8,13-16H,9-12H2,1-4H3,(H,32,34)(H,37,38)(H2,30,31,36).

What are the key properties of 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid?

4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid has a molecular weight of 532.60 g/mol, XLogP of 4.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxycarbonyl-4-[[3-[(2,4,6-trimethylphenyl)carbamoylamino]naphthalene-2-carbonyl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 69349640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).