1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]

C31H36N2 — CID 22116573

IUPAC1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCN(CCCC3c4ccccc4CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C31H36N2/c1-32-23-31(29-14-6-7-15-30(29)32)18-21-33(22-19-31)20-8-13-28-26-11-4-2-9-24(26)16-17-25-10-3-5-12-27(25)28/h2-7,9-12,14-15,28H,8,13,16-23H2,1H3
InChIKeyTUHHCFXYGRAHEN-UHFFFAOYSA-N
MW436.64 g/mol
LogP6.18
Rot. Bonds4

About 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]

1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine] (PubChem CID 22116573) has the molecular formula C31H36N2 and a molecular weight of 436.64 g/mol. Its IUPAC name is 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]
PubChem CID22116573
Molecular FormulaC31H36N2
Molecular Weight436.64 g/mol
Exact Mass436.29
IUPAC Name1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]
SMILESCN1CC2(CCN(CCCC3c4ccccc4CCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C31H36N2/c1-32-23-31(29-14-6-7-15-30(29)32)18-21-33(22-19-31)20-8-13-28-26-11-4-2-9-24(26)16-17-25-10-3-5-12-27(25)28/h2-7,9-12,14-15,28H,8,13,16-23H2,1H3
InChIKeyTUHHCFXYGRAHEN-UHFFFAOYSA-N
XLogP6.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine] with MolForge

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Related Compounds

1-methyl-4-[3-(6-thiatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-2-yl)propyl]piperazine
CID 163610270
1'-[3-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)propyl]-1-propan-2-ylspiro[6,7,8,8a-tetrahydro-5H-imidazo[1,2-a]pyridine-3,4'-piperidine]-2-one
CID 121369922
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
(E)-4-methyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)hept-4-en-3-one
CID 142841852
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
8-hydroxy-3-[(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 22509365
(3R)-1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]piperidine-3-carboxylic acid
CID 22869120
1-methyl-4-[3-(9H-thioxanthen-9-yl)propyl]piperazine
CID 3048003
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
3-(5-chloro-1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)propan-1-amine
CID 121353781
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
1-pentyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperidine
CID 21135993

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine] (CID 22116573) is 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine] is CN1CC2(CCN(CCCC3c4ccccc4CCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]?
The InChIKey is TUHHCFXYGRAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N2/c1-32-23-31(29-14-6-7-15-30(29)32)18-21-33(22-19-31)20-8-13-28-26-11-4-2-9-24(26)16-17-25-10-3-5-12-27(25)28/h2-7,9-12,14-15,28H,8,13,16-23H2,1H3.
What are the key properties of 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]?
1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine] has a molecular weight of 436.64 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 22116573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).