(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C26H27N3O2 — CID 25289271

About (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 25289271) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
• PubChem CID: 25289271
• Molecular Formula: C26H27N3O2
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.21
• IUPAC Name: (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1
• InChI: InChI=1S/C26H27N3O2/c30-26(28-24-11-3-4-12-25(24)31-23-10-5-13-27-17-23)21-9-6-14-29(18-21)22-15-19-7-1-2-8-20(19)16-22/h1-5,7-8,10-13,17,21-22H,6,9,14-16,18H2,(H,28,30)/t21-/m1/s1
• InChIKey: GZUCERVYAMEPKS-OAQYLSRUSA-N
• XLogP: 4.69
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 25289271) is (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Oc1cccnc1)[C@@H]1CCCN(C2Cc3ccccc3C2)C1.

What is the InChIKey of (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

The InChIKey is GZUCERVYAMEPKS-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H27N3O2/c30-26(28-24-11-3-4-12-25(24)31-23-10-5-13-27-17-23)21-9-6-14-29(18-21)22-15-19-7-1-2-8-20(19)16-22/h1-5,7-8,10-13,17,21-22H,6,9,14-16,18H2,(H,28,30)/t21-/m1/s1.

What are the key properties of (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?

(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 413.52 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 25289271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).