5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide

C15H20N4O — CID 63118303

IUPAC5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
SMILESCN1CCCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-19-6-2-3-12(9-19)17-15(20)14-8-10-7-11(16)4-5-13(10)18-14/h4-5,7-8,12,18H,2-3,6,9,16H2,1H3,(H,17,20)
InChIKeySTXUCDBLFPOYEH-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds2

About 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide

5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide (PubChem CID 63118303) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
PubChem CID63118303
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
SMILESCN1CCCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1
InChIInChI=1S/C15H20N4O/c1-19-6-2-3-12(9-19)17-15(20)14-8-10-7-11(16)4-5-13(10)18-14/h4-5,7-8,12,18H,2-3,6,9,16H2,1H3,(H,17,20)
InChIKeySTXUCDBLFPOYEH-UHFFFAOYSA-N
XLogP1.57
TPSA74.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
5-methyl-N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 47375273
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
5-amino-N-(2-hydroxycyclohexyl)-1H-indole-2-carboxamide
CID 63118181
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63117889
5-amino-N-(2-cyclohexylethyl)-1H-indole-2-carboxamide
CID 62056992
N-cyclohexyl-5-methyl-1H-indole-2-carboxamide
CID 3886919
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
5-amino-N-methyl-1H-indole-2-carboxamide
CID 63117746
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
7-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]-1H-indole-2-carboxamide
CID 44556339
5-amino-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 62160146

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide?
The IUPAC name of 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide (CID 63118303) is 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide is CN1CCCC(NC(=O)c2cc3cc(N)ccc3[nH]2)C1.
What is the InChIKey of 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide?
The InChIKey is STXUCDBLFPOYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-6-2-3-12(9-19)17-15(20)14-8-10-7-11(16)4-5-13(10)18-14/h4-5,7-8,12,18H,2-3,6,9,16H2,1H3,(H,17,20).
What are the key properties of 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide?
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 63118303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).