methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate

C24H27N3O2 — CID 7195684

IUPACmethyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate
SMILESCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)C2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C24H27N3O2/c1-29-23(28)21-15-19-18-9-5-6-10-20(18)25-22(19)24(26-21)11-13-27(14-12-24)16-17-7-3-2-4-8-17/h2-10,21,25-26H,11-16H2,1H3/t21-/m1/s1
InChIKeyFMKZPYAVQWBLSF-OAQYLSRUSA-N
MW389.50 g/mol
LogP3.35
Rot. Bonds3

About methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate

methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate (PubChem CID 7195684) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate
PubChem CID7195684
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Namemethyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate
SMILESCOC(=O)[C@H]1Cc2c([nH]c3ccccc23)C2(CCN(Cc3ccccc3)CC2)N1
InChIInChI=1S/C24H27N3O2/c1-29-23(28)21-15-19-18-9-5-6-10-20(18)25-22(19)24(26-21)11-13-27(14-12-24)16-17-7-3-2-4-8-17/h2-10,21,25-26H,11-16H2,1H3/t21-/m1/s1
InChIKeyFMKZPYAVQWBLSF-OAQYLSRUSA-N
XLogP3.35
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate with MolForge

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Related Compounds

methyl (3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylate
CID 51671010
ethyl spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclobutane]-3-carboxylate
CID 138114395
(3R)-spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 6919140
acetic acid;spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclohexane]-3-carboxylic acid
CID 44667494
1'-benzylspiro[2,4-dihydro-1H-cyclopenta[b]indole-3,4'-piperidine]
CID 70155622
6-bromo-N-(cyclopropylmethyl)-1'-(2-phenylethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide
CID 44535751
methyl (3S)-1-methyl-1-(1,3-thiazol-2-yl)-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 11484225
N-[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N,1'-dimethylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxamide
CID 89348557
methyl (1R,3R)-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 736463
methyl (3S)-1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 10776668
methyl (1S,3R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
CID 754468
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate?
The IUPAC name of methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate (CID 7195684) is methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate.
What is the SMILES notation for methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate?
The canonical SMILES for methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate is COC(=O)[C@H]1Cc2c([nH]c3ccccc23)C2(CCN(Cc3ccccc3)CC2)N1.
What is the InChIKey of methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate?
The InChIKey is FMKZPYAVQWBLSF-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-23(28)21-15-19-18-9-5-6-10-20(18)25-22(19)24(26-21)11-13-27(14-12-24)16-17-7-3-2-4-8-17/h2-10,21,25-26H,11-16H2,1H3/t21-/m1/s1.
What are the key properties of methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate?
methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate has a molecular weight of 389.50 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-1'-benzylspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,4'-piperidine]-3-carboxylate is sourced from PubChem (CID 7195684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).