1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]

C18H21N3 — CID 12801605

IUPAC1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccccn1)c1ccccc12
InChIInChI=1S/C18H21N3/c1-20-12-9-18(10-13-20)14-21(17-8-4-5-11-19-17)16-7-3-2-6-15(16)18/h2-8,11H,9-10,12-14H2,1H3
InChIKeyUQPBQJAPKGLPFI-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.20
Rot. Bonds1

About 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]

1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine] (PubChem CID 12801605) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]
PubChem CID12801605
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]
SMILESCN1CCC2(CC1)CN(c1ccccn1)c1ccccc12
InChIInChI=1S/C18H21N3/c1-20-12-9-18(10-13-20)14-21(17-8-4-5-11-19-17)16-7-3-2-6-15(16)18/h2-8,11H,9-10,12-14H2,1H3
InChIKeyUQPBQJAPKGLPFI-UHFFFAOYSA-N
XLogP3.20
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine] (CID 12801605) is 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine] is CN1CCC2(CC1)CN(c1ccccn1)c1ccccc12.
What is the InChIKey of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is UQPBQJAPKGLPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-20-12-9-18(10-13-20)14-21(17-8-4-5-11-19-17)16-7-3-2-6-15(16)18/h2-8,11H,9-10,12-14H2,1H3.
What are the key properties of 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine]?
1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 279.39 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-1-pyridin-2-ylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 12801605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).