(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide

C32H35N3O3 — CID 56859162

About (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide

(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56859162) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
• PubChem CID: 56859162
• Molecular Formula: C32H35N3O3
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.27
• IUPAC Name: (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
• SMILES: COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(Cc2ccc3ccccc3c2)C1
• InChI: InChI=1S/C32H35N3O3/c1-23-11-14-30(18-33-23)38-22-25-16-29(32(36)34-17-28-9-5-6-10-31(28)37-2)21-35(20-25)19-24-12-13-26-7-3-4-8-27(26)15-24/h3-15,18,25,29H,16-17,19-22H2,1-2H3,(H,34,36)/t25-,29+/m0/s1
• InChIKey: SSHBREQZZQPWJH-ABYGYWHVSA-N
• XLogP: 5.39
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

The IUPAC name of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide (CID 56859162) is (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)CN(Cc2ccc3ccccc3c2)C1.

What is the InChIKey of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

The InChIKey is SSHBREQZZQPWJH-ABYGYWHVSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-23-11-14-30(18-33-23)38-22-25-16-29(32(36)34-17-28-9-5-6-10-31(28)37-2)21-35(20-25)19-24-12-13-26-7-3-4-8-27(26)15-24/h3-15,18,25,29H,16-17,19-22H2,1-2H3,(H,34,36)/t25-,29+/m0/s1.

What are the key properties of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide?

(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 5.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56859162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).