N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide

C31H36Cl2N2O2 — CID 22049344

About N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide

N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide (PubChem CID 22049344) has the molecular formula C31H36Cl2N2O2 and a molecular weight of 539.55 g/mol. Its IUPAC name is N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• PubChem CID: 22049344
• Molecular Formula: C31H36Cl2N2O2
• Molecular Weight: 539.55 g/mol
• Exact Mass: 538.22
• IUPAC Name: N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide
• SMILES: CC(C)C(=O)Nc1cccc(C2CCN(CCCC(Oc3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1
• InChI: InChI=1S/C31H36Cl2N2O2/c1-22(2)31(36)34-28-6-3-5-25(21-28)23-16-19-35(20-17-23)18-4-7-30(24-8-10-26(32)11-9-24)37-29-14-12-27(33)13-15-29/h3,5-6,8-15,21-23,30H,4,7,16-20H2,1-2H3,(H,34,36)
• InChIKey: BCMXNQSBEBZYGY-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.55
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The IUPAC name of N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide (CID 22049344) is N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide.

What is the SMILES notation for N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The canonical SMILES for N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cccc(C2CCN(CCCC(Oc3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1.

What is the InChIKey of N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

The InChIKey is BCMXNQSBEBZYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Cl2N2O2/c1-22(2)31(36)34-28-6-3-5-25(21-28)23-16-19-35(20-17-23)18-4-7-30(24-8-10-26(32)11-9-24)37-29-14-12-27(33)13-15-29/h3,5-6,8-15,21-23,30H,4,7,16-20H2,1-2H3,(H,34,36).

What are the key properties of N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide?

N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide has a molecular weight of 539.55 g/mol, XLogP of 8.37, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[1-[4-(4-chlorophenoxy)-4-(4-chlorophenyl)butyl]piperidin-4-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 22049344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).