3-Methyl-4-[[4-[4-(1-piperidinyl)butyl]-1-piperidinyl]carbonyl]-4,9-dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-one

HCID 15057348

Notes Reactions

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Basic information

Standard SMILES: Cc1scc2c1N(C(=O)N1CCC(CCCCN3CCCCC3)CC1)c1ccccc1NC2=O
InChIKey: NUJSWKBTVYAYFQ-UHFFFAOYSA-N
Molecular formula: C27H36N4O2S
Average molar mass: 480.7 g/mol

Names & identifiers

Preferred name: 3-Methyl-4-[[4-[4-(1-piperidinyl)butyl]-1-piperidinyl]carbonyl]-4,9-dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-one
IUPAC: 1-methyl-10-[4-(4-piperidin-1-ylbutyl)piperidine-1-carbonyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one

Names & synonyms

SCHEMBL9675964NUJSWKBTVYAYFQ-UHFFFAOYSA-N3-Methyl-4-[[4-[4-(1-piperidinyl)butyl]-1-piperidinyl]carbonyl]-4,9-dihydro-10H-thieno[3,4-b][1,5]benzodiazepin-10-one

Database identifiers

PubChem CID: 15057348

Properties

Computed structural properties

XLogP: 4.7
Topological polar surface area: 84.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 34
Formal charge: 0
Complexity: 707

Related reactions

2 records

New reaction record

HRID 809732As productTest data from https://doi.org/10.1039/C8SC04228D

HRID 2106706As productuspto-grants-1990_06

Compound notes

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