(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

C21H30N4O — CID 97400181

IUPAC(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCOCCN1CCC2(CC1)C[C@H](NCc1cncn1C)c1ccccc12
InChIInChI=1S/C21H30N4O/c1-24-16-22-14-17(24)15-23-20-13-21(19-6-4-3-5-18(19)20)7-9-25(10-8-21)11-12-26-2/h3-6,14,16,20,23H,7-13,15H2,1-2H3/t20-/m0/s1
InChIKeyPXAQSRBQPSOLRH-FQEVSTJZSA-N
MW354.50 g/mol
LogP2.63
Rot. Bonds6

About (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine

(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (PubChem CID 97400181) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.

Molecular Properties

Compound Name(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
PubChem CID97400181
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
SMILESCOCCN1CCC2(CC1)C[C@H](NCc1cncn1C)c1ccccc12
InChIInChI=1S/C21H30N4O/c1-24-16-22-14-17(24)15-23-20-13-21(19-6-4-3-5-18(19)20)7-9-25(10-8-21)11-12-26-2/h3-6,14,16,20,23H,7-13,15H2,1-2H3/t20-/m0/s1
InChIKeyPXAQSRBQPSOLRH-FQEVSTJZSA-N
XLogP2.63
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The IUPAC name of (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine (CID 97400181) is (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine.
What is the SMILES notation for (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The canonical SMILES for (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is COCCN1CCC2(CC1)C[C@H](NCc1cncn1C)c1ccccc12.
What is the InChIKey of (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
The InChIKey is PXAQSRBQPSOLRH-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N4O/c1-24-16-22-14-17(24)15-23-20-13-21(19-6-4-3-5-18(19)20)7-9-25(10-8-21)11-12-26-2/h3-6,14,16,20,23H,7-13,15H2,1-2H3/t20-/m0/s1.
What are the key properties of (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine?
(1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine has a molecular weight of 354.50 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-(2-methoxyethyl)-N-[(3-methylimidazol-4-yl)methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-1-amine is sourced from PubChem (CID 97400181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).