1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide

C31H31N3O3 — CID 55692676

About 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide

1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 55692676) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide
• PubChem CID: 55692676
• Molecular Formula: C31H31N3O3
• Molecular Weight: 493.61 g/mol
• Exact Mass: 493.24
• IUPAC Name: 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide
• SMILES: CC(NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(OCc2cccnc2)cc1
• InChI: InChI=1S/C31H31N3O3/c1-22(24-13-15-27(16-14-24)37-21-23-7-5-17-32-19-23)33-30(35)26-10-6-18-34(20-26)31(36)29-12-4-9-25-8-2-3-11-28(25)29/h2-5,7-9,11-17,19,22,26H,6,10,18,20-21H2,1H3,(H,33,35)
• InChIKey: INMGDRACYYOLBB-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 71.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	493.61
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide?

The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide (CID 55692676) is 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide?

The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide is CC(NC(=O)C1CCCN(C(=O)c2cccc3ccccc23)C1)c1ccc(OCc2cccnc2)cc1.

What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide?

The InChIKey is INMGDRACYYOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c1-22(24-13-15-27(16-14-24)37-21-23-7-5-17-32-19-23)33-30(35)26-10-6-18-34(20-26)31(36)29-12-4-9-25-8-2-3-11-28(25)29/h2-5,7-9,11-17,19,22,26H,6,10,18,20-21H2,1H3,(H,33,35).

What are the key properties of 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide?

1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(naphthalene-1-carbonyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55692676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).