(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide

C29H38N4O3 — CID 56857909

About (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide

(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 56857909) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
• PubChem CID: 56857909
• Molecular Formula: C29H38N4O3
• Molecular Weight: 490.65 g/mol
• Exact Mass: 490.29
• IUPAC Name: (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide
• SMILES: O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)CN(CCc2ccccc2)C1
• InChI: InChI=1S/C29H38N4O3/c34-28(30-12-15-33-16-13-31-29(33)35)26-17-23(19-32(20-26)14-11-22-5-2-1-3-6-22)21-36-27-10-9-24-7-4-8-25(24)18-27/h1-3,5-6,9-10,18,23,26H,4,7-8,11-17,19-21H2,(H,30,34)(H,31,35)/t23-,26+/m0/s1
• InChIKey: SNOZOYNNIRYMIK-JYFHCDHNSA-N
• XLogP: 2.88
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.65
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide?

The IUPAC name of (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide (CID 56857909) is (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide.

What is the SMILES notation for (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide?

The canonical SMILES for (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide is O=C(NCCN1CCNC1=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)CN(CCc2ccccc2)C1.

What is the InChIKey of (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide?

The InChIKey is SNOZOYNNIRYMIK-JYFHCDHNSA-N. The full InChI is InChI=1S/C29H38N4O3/c34-28(30-12-15-33-16-13-31-29(33)35)26-17-23(19-32(20-26)14-11-22-5-2-1-3-6-22)21-36-27-10-9-24-7-4-8-25(24)18-27/h1-3,5-6,9-10,18,23,26H,4,7-8,11-17,19-21H2,(H,30,34)(H,31,35)/t23-,26+/m0/s1.

What are the key properties of (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide?

(3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 490.65 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,5S)-5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56857909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).