benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate

C37H36N4O4 — CID 171108525

About benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate

benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate (PubChem CID 171108525) has the molecular formula C37H36N4O4 and a molecular weight of 600.72 g/mol. Its IUPAC name is benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate
• PubChem CID: 171108525
• Molecular Formula: C37H36N4O4
• Molecular Weight: 600.72 g/mol
• Exact Mass: 600.27
• IUPAC Name: benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate
• SMILES: O=C(NC1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cn2)CC1)OCc1ccccc1
• InChI: InChI=1S/C37H36N4O4/c42-37(45-27-30-14-8-3-9-15-30)39-32-20-22-41(23-21-32)34-18-16-31(24-38-34)33-17-19-35(43-25-28-10-4-1-5-11-28)40-36(33)44-26-29-12-6-2-7-13-29/h1-19,24,32H,20-23,25-27H2,(H,39,42)
• InChIKey: PTTKVRXGVCYTRG-UHFFFAOYSA-N
• XLogP: 7.20
• TPSA: 85.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.72
LogP ≤ 5	7.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate?

The IUPAC name of benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate (CID 171108525) is benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate.

What is the SMILES notation for benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate?

The canonical SMILES for benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate is O=C(NC1CCN(c2ccc(-c3ccc(OCc4ccccc4)nc3OCc3ccccc3)cn2)CC1)OCc1ccccc1.

What is the InChIKey of benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate?

The InChIKey is PTTKVRXGVCYTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H36N4O4/c42-37(45-27-30-14-8-3-9-15-30)39-32-20-22-41(23-21-32)34-18-16-31(24-38-34)33-17-19-35(43-25-28-10-4-1-5-11-28)40-36(33)44-26-29-12-6-2-7-13-29/h1-19,24,32H,20-23,25-27H2,(H,39,42).

What are the key properties of benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate?

benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate has a molecular weight of 600.72 g/mol, XLogP of 7.20, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[1-[5-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-pyridinyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 171108525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).