N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

C26H35ClN4O4S — CID 20630265

About N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide

N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (PubChem CID 20630265) has the molecular formula C26H35ClN4O4S and a molecular weight of 535.11 g/mol. Its IUPAC name is N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
• PubChem CID: 20630265
• Molecular Formula: C26H35ClN4O4S
• Molecular Weight: 535.11 g/mol
• Exact Mass: 534.21
• IUPAC Name: N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
• SMILES: CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CC1
• InChI: InChI=1S/C26H35ClN4O4S/c1-19(2)36(34,35)29-23-11-15-31(16-12-23)25(32)28-22-7-9-24(10-8-22)30-17-13-26(33,14-18-30)20-3-5-21(27)6-4-20/h3-10,19,23,29,33H,11-18H2,1-2H3,(H,28,32)
• InChIKey: SUGQITAQRAQWMD-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 101.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.11
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

The IUPAC name of N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide (CID 20630265) is N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide.

What is the SMILES notation for N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

The canonical SMILES for N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is CC(C)S(=O)(=O)NC1CCN(C(=O)Nc2ccc(N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)CC1.

What is the InChIKey of N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

The InChIKey is SUGQITAQRAQWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN4O4S/c1-19(2)36(34,35)29-23-11-15-31(16-12-23)25(32)28-22-7-9-24(10-8-22)30-17-13-26(33,14-18-30)20-3-5-21(27)6-4-20/h3-10,19,23,29,33H,11-18H2,1-2H3,(H,28,32).

What are the key properties of N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide?

N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide has a molecular weight of 535.11 g/mol, XLogP of 4.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide is sourced from PubChem (CID 20630265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).