2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde

C15H19N3O — CID 115146165

IUPAC2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde
SMILESCN1CCCC(Nc2[nH]c3ccccc3c2C=O)C1
InChIInChI=1S/C15H19N3O/c1-18-8-4-5-11(9-18)16-15-13(10-19)12-6-2-3-7-14(12)17-15/h2-3,6-7,10-11,16-17H,4-5,8-9H2,1H3
InChIKeyQQIOHTFQANYXKK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.49
Rot. Bonds3

About 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde

2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde (PubChem CID 115146165) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde
PubChem CID115146165
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde
SMILESCN1CCCC(Nc2[nH]c3ccccc3c2C=O)C1
InChIInChI=1S/C15H19N3O/c1-18-8-4-5-11(9-18)16-15-13(10-19)12-6-2-3-7-14(12)17-15/h2-3,6-7,10-11,16-17H,4-5,8-9H2,1H3
InChIKeyQQIOHTFQANYXKK-UHFFFAOYSA-N
XLogP2.49
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde?
The IUPAC name of 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde (CID 115146165) is 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde is CN1CCCC(Nc2[nH]c3ccccc3c2C=O)C1.
What is the InChIKey of 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde?
The InChIKey is QQIOHTFQANYXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-8-4-5-11(9-18)16-15-13(10-19)12-6-2-3-7-14(12)17-15/h2-3,6-7,10-11,16-17H,4-5,8-9H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde?
2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-3-yl)amino]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 115146165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).