2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

C26H38N4O2 — CID 125462407

IUPAC2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1
InChIInChI=1S/C26H38N4O2/c1-20(2)28-12-14-29(15-13-28)22-7-16-32-26(18-22)8-10-30(11-9-26)25(31)17-21-19-27-24-6-4-3-5-23(21)24/h3-6,19-20,22,27H,7-18H2,1-2H3/t22-/m1/s1
InChIKeyUHKUDDFLEZBXJN-JOCHJYFZSA-N
MW438.62 g/mol
LogP3.28
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone

2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (PubChem CID 125462407) has the molecular formula C26H38N4O2 and a molecular weight of 438.62 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
PubChem CID125462407
Molecular FormulaC26H38N4O2
Molecular Weight438.62 g/mol
Exact Mass438.30
IUPAC Name2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
SMILESCC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1
InChIInChI=1S/C26H38N4O2/c1-20(2)28-12-14-29(15-13-28)22-7-16-32-26(18-22)8-10-30(11-9-26)25(31)17-21-19-27-24-6-4-3-5-23(21)24/h3-6,19-20,22,27H,7-18H2,1-2H3/t22-/m1/s1
InChIKeyUHKUDDFLEZBXJN-JOCHJYFZSA-N
XLogP3.28
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.62
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone with MolForge

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Related Compounds

2-(1H-indol-3-yl)-1-(4-phenylmethoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 91918074
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
2-(1H-indol-3-yl)-1-[(5R)-5-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97194736
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820676
1H-indol-3-yl-(4-methoxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 91917986
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
N-[2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 55860352
2-(1H-indol-3-yl)-1-(4-methylazepan-1-yl)ethanone
CID 62047169
3-phenyl-1-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 125462444
1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-pyridin-3-ylethanone
CID 125462418
N-ethyl-1-[2-(1H-indol-3-yl)acetyl]piperidine-4-carboxamide
CID 51078734

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone (CID 125462407) is 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is CC(C)N1CCN([C@@H]2CCOC3(CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)C2)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
The InChIKey is UHKUDDFLEZBXJN-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H38N4O2/c1-20(2)28-12-14-29(15-13-28)22-7-16-32-26(18-22)8-10-30(11-9-26)25(31)17-21-19-27-24-6-4-3-5-23(21)24/h3-6,19-20,22,27H,7-18H2,1-2H3/t22-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone?
2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone has a molecular weight of 438.62 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[(4R)-4-(4-propan-2-ylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone is sourced from PubChem (CID 125462407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).