4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

C27H37N5O2 — CID 93221257

About 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 93221257) has the molecular formula C27H37N5O2 and a molecular weight of 463.63 g/mol. Its IUPAC name is 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
• PubChem CID: 93221257
• Molecular Formula: C27H37N5O2
• Molecular Weight: 463.63 g/mol
• Exact Mass: 463.29
• IUPAC Name: 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
• SMILES: CC(C)c1ccc(NC(=O)N2CCN([C@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)cc1
• InChI: InChI=1S/C27H37N5O2/c1-20(2)21-10-12-23(13-11-21)30-27(34)32-17-15-31(16-18-32)25(22-7-3-4-8-22)26(33)29-19-24-9-5-6-14-28-24/h5-6,9-14,20,22,25H,3-4,7-8,15-19H2,1-2H3,(H,29,33)(H,30,34)/t25-/m0/s1
• InChIKey: SLCSNIDVFNQNSC-VWLOTQADSA-N
• XLogP: 4.23
• TPSA: 77.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.63
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

The IUPAC name of 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide (CID 93221257) is 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide.

What is the SMILES notation for 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

The canonical SMILES for 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is CC(C)c1ccc(NC(=O)N2CCN([C@H](C(=O)NCc3ccccn3)C3CCCC3)CC2)cc1.

What is the InChIKey of 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

The InChIKey is SLCSNIDVFNQNSC-VWLOTQADSA-N. The full InChI is InChI=1S/C27H37N5O2/c1-20(2)21-10-12-23(13-11-21)30-27(34)32-17-15-31(16-18-32)25(22-7-3-4-8-22)26(33)29-19-24-9-5-6-14-28-24/h5-6,9-14,20,22,25H,3-4,7-8,15-19H2,1-2H3,(H,29,33)(H,30,34)/t25-/m0/s1.

What are the key properties of 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide?

4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 463.63 g/mol, XLogP of 4.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-cyclopentyl-2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 93221257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).