1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide

C30H36N4O4 — CID 44825633

About 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide (PubChem CID 44825633) has the molecular formula C30H36N4O4 and a molecular weight of 516.64 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
• PubChem CID: 44825633
• Molecular Formula: C30H36N4O4
• Molecular Weight: 516.64 g/mol
• Exact Mass: 516.27
• IUPAC Name: 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
• SMILES: CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CCC4)CC3)c2)cc1)C1CC1
• InChI: InChI=1S/C30H36N4O4/c1-33(26-12-13-26)29(37)23-8-10-24(11-9-23)31-27(35)19-20-4-2-7-25(18-20)32-28(36)21-14-16-34(17-15-21)30(38)22-5-3-6-22/h2,4,7-11,18,21-22,26H,3,5-6,12-17,19H2,1H3,(H,31,35)(H,32,36)
• InChIKey: OVCYKLDQOYXDMG-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.64
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide (CID 44825633) is 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide is CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCN(C(=O)C4CCC4)CC3)c2)cc1)C1CC1.

What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?

The InChIKey is OVCYKLDQOYXDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O4/c1-33(26-12-13-26)29(37)23-8-10-24(11-9-23)31-27(35)19-20-4-2-7-25(18-20)32-28(36)21-14-16-34(17-15-21)30(38)22-5-3-6-22/h2,4,7-11,18,21-22,26H,3,5-6,12-17,19H2,1H3,(H,31,35)(H,32,36).

What are the key properties of 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide?

1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutanecarbonyl)-N-[3-[2-[4-[cyclopropyl(methyl)carbamoyl]anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 44825633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).