2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane

C22H31N3 — CID 138565001

IUPAC2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane
SMILESC=C(CCc1c[nH]c2ccccc12)N1CC2(CCN(C)CC2)CC1C
InChIInChI=1S/C22H31N3/c1-17(8-9-19-15-23-21-7-5-4-6-20(19)21)25-16-22(14-18(25)2)10-12-24(3)13-11-22/h4-7,15,18,23H,1,8-14,16H2,2-3H3
InChIKeyRAKRBTPDRWEMDJ-UHFFFAOYSA-N
MW337.51 g/mol
LogP4.42
Rot. Bonds4

About 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane

2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane (PubChem CID 138565001) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane
PubChem CID138565001
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC Name2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane
SMILESC=C(CCc1c[nH]c2ccccc12)N1CC2(CCN(C)CC2)CC1C
InChIInChI=1S/C22H31N3/c1-17(8-9-19-15-23-21-7-5-4-6-20(19)21)25-16-22(14-18(25)2)10-12-24(3)13-11-22/h4-7,15,18,23H,1,8-14,16H2,2-3H3
InChIKeyRAKRBTPDRWEMDJ-UHFFFAOYSA-N
XLogP4.42
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane with MolForge

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Related Compounds

1-[(2R)-2,8-dimethyl-1-thia-3,8-diazaspiro[4.5]decan-3-yl]-3-(1H-indol-3-yl)propan-1-one
CID 46846426
1-[(2S)-2,4-dimethylpiperazin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 97093757
1-(1',4-dimethylspiro[3-oxabicyclo[3.1.0]hexane-2,4'-piperidine]-6-yl)-3-(1H-indol-3-yl)propan-1-one
CID 142710598
N-[3-(1H-indol-3-yl)-1-[(7R)-7-methyl-6-azaspiro[3.4]octan-6-yl]-1-oxopropan-2-yl]acetamide
CID 167918708
3-(1H-indol-3-yl)-N-(4-methylpiperazin-1-yl)propanamide
CID 78909578
1H-indol-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50985596
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
1-(2,5-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 43420925
4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 87890526
(3aS,7aR)-2-[3-(1H-indol-3-yl)propanoyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70749812
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
3-(1H-indol-3-yl)-N-[(2R)-2-(4-methylpiperazin-1-yl)propyl]propanamide
CID 95604374

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane (CID 138565001) is 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane is C=C(CCc1c[nH]c2ccccc12)N1CC2(CCN(C)CC2)CC1C.
What is the InChIKey of 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane?
The InChIKey is RAKRBTPDRWEMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-17(8-9-19-15-23-21-7-5-4-6-20(19)21)25-16-22(14-18(25)2)10-12-24(3)13-11-22/h4-7,15,18,23H,1,8-14,16H2,2-3H3.
What are the key properties of 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane?
2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane has a molecular weight of 337.51 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-indol-3-yl)but-1-en-2-yl]-3,8-dimethyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 138565001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).