1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide

C33H42N4O4 — CID 44825551

About 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide

1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide (PubChem CID 44825551) has the molecular formula C33H42N4O4 and a molecular weight of 558.72 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
• PubChem CID: 44825551
• Molecular Formula: C33H42N4O4
• Molecular Weight: 558.72 g/mol
• Exact Mass: 558.32
• IUPAC Name: 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide
• SMILES: O=C(Cc1ccc(NC(=O)C2CCN(C(=O)C3CCCCC3)CC2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1
• InChI: InChI=1S/C33H42N4O4/c38-30(34-29-11-7-10-27(23-29)33(41)36-18-5-2-6-19-36)22-24-12-14-28(15-13-24)35-31(39)25-16-20-37(21-17-25)32(40)26-8-3-1-4-9-26/h7,10-15,23,25-26H,1-6,8-9,16-22H2,(H,34,38)(H,35,39)
• InChIKey: OXEIBIUNGAWKRX-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 98.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	558.72
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide?

The IUPAC name of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide (CID 44825551) is 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide is O=C(Cc1ccc(NC(=O)C2CCN(C(=O)C3CCCCC3)CC2)cc1)Nc1cccc(C(=O)N2CCCCC2)c1.

What is the InChIKey of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide?

The InChIKey is OXEIBIUNGAWKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N4O4/c38-30(34-29-11-7-10-27(23-29)33(41)36-18-5-2-6-19-36)22-24-12-14-28(15-13-24)35-31(39)25-16-20-37(21-17-25)32(40)26-8-3-1-4-9-26/h7,10-15,23,25-26H,1-6,8-9,16-22H2,(H,34,38)(H,35,39).

What are the key properties of 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide?

1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide has a molecular weight of 558.72 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclohexanecarbonyl)-N-[4-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 44825551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).