N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide

C23H29N3O2 — CID 155509949

About N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide (PubChem CID 155509949) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide
• PubChem CID: 155509949
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide
• SMILES: O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1c[nH]c2ccccc12
• InChI: InChI=1S/C23H29N3O2/c27-22(17-11-24-20-8-4-3-7-16(17)20)25-12-18-19-13-26(15-5-1-2-6-15)14-23(19)10-9-21(18)28-23/h3-4,7-8,11,15,18-19,21,24H,1-2,5-6,9-10,12-14H2,(H,25,27)/t18-,19+,21+,23+/m0/s1
• InChIKey: DXPNUEUAUSCORW-KLJZETAQSA-N
• XLogP: 3.32
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide?

The IUPAC name of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide (CID 155509949) is N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide.

What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide?

The canonical SMILES for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide is O=C(NC[C@H]1[C@H]2CN(C3CCCC3)C[C@]23CC[C@H]1O3)c1c[nH]c2ccccc12.

What is the InChIKey of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide?

The InChIKey is DXPNUEUAUSCORW-KLJZETAQSA-N. The full InChI is InChI=1S/C23H29N3O2/c27-22(17-11-24-20-8-4-3-7-16(17)20)25-12-18-19-13-26(15-5-1-2-6-15)14-23(19)10-9-21(18)28-23/h3-4,7-8,11,15,18-19,21,24H,1-2,5-6,9-10,12-14H2,(H,25,27)/t18-,19+,21+,23+/m0/s1.

What are the key properties of N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide?

N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(1S,5S,6R,7R)-3-cyclopentyl-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1H-indole-3-carboxamide is sourced from PubChem (CID 155509949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).