4-(but-3-ynyl)-N-methylpiperazine-1-carboxamide

HCID 86608228

Notes Reactions

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Basic information

CAS: 911398-05-5
Standard SMILES: C#CCCN1CCN(C(=O)NC)CC1
InChIKey: VAMPHGPMJUPVBU-UHFFFAOYSA-N
Molecular formula: C10H17N3O
Average molar mass: 195.26 g/mol
Monoisotopic mass: 195.13716216

Names & identifiers

Preferred name: 4-(but-3-ynyl)-N-methylpiperazine-1-carboxamide
IUPAC: 4-but-3-ynyl-N-methylpiperazine-1-carboxamide

Names & synonyms

SCHEMBL3138214-(but-3-yn-1-yl)-N-methylpiperazine-1-carboxamideVAMPHGPMJUPVBU-UHFFFAOYSA-NDTXSID2012331774-(but-3-ynyl)-N-methylpiperazine-1-carboxamide4-(3-Butyn-1-yl)-N-methyl-1-piperazinecarboxamide911398-05-5

Database identifiers

CAS: 911398-05-5
PubChem CID: 86608228
DTXSID: DTXSID201233177

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 35.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 235

Related reactions

2 records

New reaction record

HRID 417877As productuspto-grants-2012_01

HRID 1984104As productuspto-grants-2009_06

Compound notes

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