1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

C26H27Cl2N3O2 — CID 137423514

About 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide

1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 137423514) has the molecular formula C26H27Cl2N3O2 and a molecular weight of 484.43 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
• PubChem CID: 137423514
• Molecular Formula: C26H27Cl2N3O2
• Molecular Weight: 484.43 g/mol
• Exact Mass: 483.15
• IUPAC Name: 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
• SMILES: O=C(N[C@H](c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cccc(Cl)c2)CC1
• InChI: InChI=1S/C26H27Cl2N3O2/c27-21-9-7-19(8-10-21)25(24-6-1-2-13-29-24)30-26(32)20-11-14-31(15-12-20)16-17-33-23-5-3-4-22(28)18-23/h1-10,13,18,20,25H,11-12,14-17H2,(H,30,32)/t25-/m1/s1
• InChIKey: NVPTXXBCTOXILQ-RUZDIDTESA-N
• XLogP: 5.39
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.43
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide (CID 137423514) is 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is O=C(N[C@H](c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2cccc(Cl)c2)CC1.

What is the InChIKey of 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?

The InChIKey is NVPTXXBCTOXILQ-RUZDIDTESA-N. The full InChI is InChI=1S/C26H27Cl2N3O2/c27-21-9-7-19(8-10-21)25(24-6-1-2-13-29-24)30-26(32)20-11-14-31(15-12-20)16-17-33-23-5-3-4-22(28)18-23/h1-10,13,18,20,25H,11-12,14-17H2,(H,30,32)/t25-/m1/s1.

What are the key properties of 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide?

1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 484.43 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 137423514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).