4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

C29H35ClN4O2 — CID 70574063

IUPAC4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC(CC1(CC(C)c2c[nH]c3ccccc23)NC(=O)OC12CCNCC2)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C29H34N4O2.ClH/c1-19(23-17-31-25-9-5-3-7-21(23)25)15-28(29(35-27(34)33-28)11-13-30-14-12-29)16-20(2)24-18-32-26-10-6-4-8-22(24)26;/h3-10,17-20,30-32H,11-16H2,1-2H3,(H,33,34);1H
InChIKeyPKPUHEKSODNYMT-UHFFFAOYSA-N
MW507.08 g/mol
LogP6.36
Rot. Bonds6

About 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride

4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (PubChem CID 70574063) has the molecular formula C29H35ClN4O2 and a molecular weight of 507.08 g/mol. Its IUPAC name is 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.

Molecular Properties

Compound Name4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
PubChem CID70574063
Molecular FormulaC29H35ClN4O2
Molecular Weight507.08 g/mol
Exact Mass506.24
IUPAC Name4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
SMILESCC(CC1(CC(C)c2c[nH]c3ccccc23)NC(=O)OC12CCNCC2)c1c[nH]c2ccccc12.Cl
InChIInChI=1S/C29H34N4O2.ClH/c1-19(23-17-31-25-9-5-3-7-21(23)25)15-28(29(35-27(34)33-28)11-13-30-14-12-29)16-20(2)24-18-32-26-10-6-4-8-22(24)26;/h3-10,17-20,30-32H,11-16H2,1-2H3,(H,33,34);1H
InChIKeyPKPUHEKSODNYMT-UHFFFAOYSA-N
XLogP6.36
TPSA81.94 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.08
LogP ≤ 56.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11970278
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CID 70571924
2-(1H-indol-3-yl)propan-1-amine
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3-[(1R)-1-piperazin-1-ylethyl]-1H-indole;dihydrochloride
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(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
3-propan-2-yl-1H-indole
CID 12534824
3-[(1R)-4-methyl-1-piperazin-1-ylpentyl]-1H-indole
CID 171310601
5-[1H-indol-3-yl(phenyl)methyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11131857
N-[2-(1H-indol-3-yl)-2-phenylethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617194
3-(1-piperidin-4-yloxyethyl)-1H-indole
CID 82294412
3-[(1S)-1-piperazin-1-ylpropyl]-1H-indole
CID 95456258

Frequently Asked Questions

What is the IUPAC name of 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The IUPAC name of 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride (CID 70574063) is 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride.
What is the SMILES notation for 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The canonical SMILES for 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is CC(CC1(CC(C)c2c[nH]c3ccccc23)NC(=O)OC12CCNCC2)c1c[nH]c2ccccc12.Cl.
What is the InChIKey of 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
The InChIKey is PKPUHEKSODNYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2.ClH/c1-19(23-17-31-25-9-5-3-7-21(23)25)15-28(29(35-27(34)33-28)11-13-30-14-12-29)16-20(2)24-18-32-26-10-6-4-8-22(24)26;/h3-10,17-20,30-32H,11-16H2,1-2H3,(H,33,34);1H.
What are the key properties of 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride?
4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride has a molecular weight of 507.08 g/mol, XLogP of 6.36, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis[2-(1H-indol-3-yl)propyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride is sourced from PubChem (CID 70574063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).