[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol

C23H35N3O — CID 74231288

IUPAC[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCCCN1CCC2(CC1)CCN(Cc1ccc3c(ccn3C)c1)CC2CO
InChIInChI=1S/C23H35N3O/c1-3-10-25-12-7-23(8-13-25)9-14-26(17-21(23)18-27)16-19-4-5-22-20(15-19)6-11-24(22)2/h4-6,11,15,21,27H,3,7-10,12-14,16-18H2,1-2H3
InChIKeyLYUVVOCKUFZPMB-UHFFFAOYSA-N
MW369.55 g/mol
LogP3.48
Rot. Bonds5

About [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol

[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol (PubChem CID 74231288) has the molecular formula C23H35N3O and a molecular weight of 369.55 g/mol. Its IUPAC name is [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol.

Molecular Properties

Compound Name[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
PubChem CID74231288
Molecular FormulaC23H35N3O
Molecular Weight369.55 g/mol
Exact Mass369.28
IUPAC Name[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol
SMILESCCCN1CCC2(CC1)CCN(Cc1ccc3c(ccn3C)c1)CC2CO
InChIInChI=1S/C23H35N3O/c1-3-10-25-12-7-23(8-13-25)9-14-26(17-21(23)18-27)16-19-4-5-22-20(15-19)6-11-24(22)2/h4-6,11,15,21,27H,3,7-10,12-14,16-18H2,1-2H3
InChIKeyLYUVVOCKUFZPMB-UHFFFAOYSA-N
XLogP3.48
TPSA31.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
CID 155910935
(8-benzyl-8-azaspiro[4.5]decan-10-yl)methanol
CID 22495756
[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921744
4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide
CID 11703005
(6R)-6-[(1-methylindol-5-yl)methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-oxazepane
CID 125026143
2-[1-[(1-methylindol-6-yl)methyl]pyrrolidin-3-yl]propan-2-ol
CID 131911427
3-[[5-(hydroxymethyl)-9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methyl]benzonitrile
CID 74244746
2-cyclopropyl-1-[(6R)-6-[(1-methylindol-5-yl)methyl]-1,4-oxazepan-4-yl]ethanone
CID 124959943
1-[5-(hydroxymethyl)-9-[(4-methoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxyethanone
CID 74233798
(3S,4R)-4-(hydroxymethyl)-1-[(6-methoxynaphthalen-2-yl)methyl]-4-propylpiperidin-3-ol
CID 134714037
2-(methylamino)-1-[6-[(1-methylindol-5-yl)methyl]-1,4-oxazepan-4-yl]ethanone
CID 127245874
[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99760286

Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The IUPAC name of [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol (CID 74231288) is [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol.
What is the SMILES notation for [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The canonical SMILES for [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol is CCCN1CCC2(CC1)CCN(Cc1ccc3c(ccn3C)c1)CC2CO.
What is the InChIKey of [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
The InChIKey is LYUVVOCKUFZPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O/c1-3-10-25-12-7-23(8-13-25)9-14-26(17-21(23)18-27)16-19-4-5-22-20(15-19)6-11-24(22)2/h4-6,11,15,21,27H,3,7-10,12-14,16-18H2,1-2H3.
What are the key properties of [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol?
[3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol has a molecular weight of 369.55 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylindol-5-yl)methyl]-9-propyl-3,9-diazaspiro[5.5]undecan-5-yl]methanol is sourced from PubChem (CID 74231288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).