8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

C21H28N4O2 — CID 131660879

About 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide

8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (PubChem CID 131660879) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

• Compound Name: 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• PubChem CID: 131660879
• Molecular Formula: C21H28N4O2
• Molecular Weight: 368.48 g/mol
• Exact Mass: 368.22
• IUPAC Name: 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
• SMILES: CNC(=O)C1COC2(CN(Cc3cccc4[nH]ccc34)C2)CN1CC1CC1
• InChI: InChI=1S/C21H28N4O2/c1-22-20(26)19-11-27-21(14-25(19)9-15-5-6-15)12-24(13-21)10-16-3-2-4-18-17(16)7-8-23-18/h2-4,7-8,15,19,23H,5-6,9-14H2,1H3,(H,22,26)
• InChIKey: SAQGJMOTUIIDLG-UHFFFAOYSA-N
• XLogP: 1.58
• TPSA: 60.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.48
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The IUPAC name of 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide (CID 131660879) is 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide.

What is the SMILES notation for 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The canonical SMILES for 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is CNC(=O)C1COC2(CN(Cc3cccc4[nH]ccc34)C2)CN1CC1CC1.

What is the InChIKey of 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

The InChIKey is SAQGJMOTUIIDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-22-20(26)19-11-27-21(14-25(19)9-15-5-6-15)12-24(13-21)10-16-3-2-4-18-17(16)7-8-23-18/h2-4,7-8,15,19,23H,5-6,9-14H2,1H3,(H,22,26).

What are the key properties of 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide?

8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(cyclopropylmethyl)-2-(1H-indol-4-ylmethyl)-N-methyl-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 131660879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).