5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine

C19H23ClN6 — CID 148522262

IUPAC5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
SMILESC/N=C1\Nc2cc(-n3cc(C4CCCCN4)nn3)c(Cl)cc2C12CCC2
InChIInChI=1S/C19H23ClN6/c1-21-18-19(6-4-7-19)12-9-13(20)17(10-15(12)23-18)26-11-16(24-25-26)14-5-2-3-8-22-14/h9-11,14,22H,2-8H2,1H3,(H,21,23)
InChIKeyMOQJFBQMWHYWQK-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.61
Rot. Bonds2

About 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine

5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine (PubChem CID 148522262) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
PubChem CID148522262
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine
SMILESC/N=C1\Nc2cc(-n3cc(C4CCCCN4)nn3)c(Cl)cc2C12CCC2
InChIInChI=1S/C19H23ClN6/c1-21-18-19(6-4-7-19)12-9-13(20)17(10-15(12)23-18)26-11-16(24-25-26)14-5-2-3-8-22-14/h9-11,14,22H,2-8H2,1H3,(H,21,23)
InChIKeyMOQJFBQMWHYWQK-UHFFFAOYSA-N
XLogP3.61
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
The IUPAC name of 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine (CID 148522262) is 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine.
What is the SMILES notation for 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
The canonical SMILES for 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine is C/N=C1\Nc2cc(-n3cc(C4CCCCN4)nn3)c(Cl)cc2C12CCC2.
What is the InChIKey of 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
The InChIKey is MOQJFBQMWHYWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c1-21-18-19(6-4-7-19)12-9-13(20)17(10-15(12)23-18)26-11-16(24-25-26)14-5-2-3-8-22-14/h9-11,14,22H,2-8H2,1H3,(H,21,23).
What are the key properties of 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine?
5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine has a molecular weight of 370.89 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-(4-piperidin-2-yltriazol-1-yl)spiro[1H-indole-3,1'-cyclobutane]-2-imine is sourced from PubChem (CID 148522262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).