5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium

C15H17N4O2+ — CID 10731761

IUPAC5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium
SMILESCOc1ccc2[nH]c(C(=O)N3CCCCC3)c([N+]#N)c2c1
InChIInChI=1S/C15H16N4O2/c1-21-10-5-6-12-11(9-10)13(18-16)14(17-12)15(20)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3/p+1
InChIKeyDLXWWIZVYWJZKA-UHFFFAOYSA-O
MW285.33 g/mol
LogP3.29
Rot. Bonds2

About 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium

5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium (PubChem CID 10731761) has the molecular formula C15H17N4O2+ and a molecular weight of 285.33 g/mol. Its IUPAC name is 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium.

Molecular Properties

Compound Name5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium
PubChem CID10731761
Molecular FormulaC15H17N4O2+
Molecular Weight285.33 g/mol
Exact Mass285.13
IUPAC Name5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium
SMILESCOc1ccc2[nH]c(C(=O)N3CCCCC3)c([N+]#N)c2c1
InChIInChI=1S/C15H16N4O2/c1-21-10-5-6-12-11(9-10)13(18-16)14(17-12)15(20)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3/p+1
InChIKeyDLXWWIZVYWJZKA-UHFFFAOYSA-O
XLogP3.29
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
(3-amino-6-methoxy-1-benzothiophen-2-yl)-(azepan-1-yl)methanone
CID 81300326
[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone
CID 56740155
5-methoxy-2-(piperidine-1-carbonyl)benzamide
CID 68835817
(6-methoxy-3-methyl-1H-indol-2-yl)-morpholin-4-ylmethanone
CID 113205390
(5-methoxy-3-methyl-1H-indol-2-yl)-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 74244391
(5-fluoro-3-methyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204518
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
4-(6-methoxy-3-methyl-1H-indole-2-carbonyl)piperazine-1-carbaldehyde
CID 113205397
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3,6-dimethyl-1H-indol-2-yl)-piperidin-1-ylmethanone
CID 113204953
(6-methoxy-3-methyl-1-benzothiophen-2-yl)-piperidin-1-ylmethanone
CID 177382285

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium?
The IUPAC name of 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium (CID 10731761) is 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium.
What is the SMILES notation for 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium?
The canonical SMILES for 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium is COc1ccc2[nH]c(C(=O)N3CCCCC3)c([N+]#N)c2c1.
What is the InChIKey of 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium?
The InChIKey is DLXWWIZVYWJZKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H16N4O2/c1-21-10-5-6-12-11(9-10)13(18-16)14(17-12)15(20)19-7-3-2-4-8-19/h5-6,9H,2-4,7-8H2,1H3/p+1.
What are the key properties of 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium?
5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium has a molecular weight of 285.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(piperidine-1-carbonyl)-1H-indole-3-diazonium is sourced from PubChem (CID 10731761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).