5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide

C15H20N4O — CID 63116925

IUPAC5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
SMILESCN1CCC(NC(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C15H20N4O/c1-19-6-4-11(5-7-19)18-15(20)13-9-17-14-3-2-10(16)8-12(13)14/h2-3,8-9,11,17H,4-7,16H2,1H3,(H,18,20)
InChIKeyBSLLSHYWLRRDNC-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.57
Rot. Bonds2

About 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide

5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide (PubChem CID 63116925) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
PubChem CID63116925
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
SMILESCN1CCC(NC(=O)c2c[nH]c3ccc(N)cc23)CC1
InChIInChI=1S/C15H20N4O/c1-19-6-4-11(5-7-19)18-15(20)13-9-17-14-3-2-10(16)8-12(13)14/h2-3,8-9,11,17H,4-7,16H2,1H3,(H,18,20)
InChIKeyBSLLSHYWLRRDNC-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

5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899
5-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-1H-indole-3-carboxamide
CID 107211254
6-amino-N-(4-methylpiperazin-1-yl)-1H-indole-3-carboxamide
CID 83012417
6-amino-N-(oxolan-3-yl)-1H-indole-3-carboxamide
CID 80717046
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
5-bromo-N-cyclopentyl-1H-indole-3-carboxamide
CID 172654540
2,4-diamino-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949912
3-(1-methylpiperidin-4-yl)-1H-indol-5-amine;dihydrochloride
CID 22611495
5-amino-2-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949514
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
5-amino-N-(2,4,4-trimethylpentan-2-yl)-1H-indole-3-carboxamide
CID 63116738
5-amino-N-(2,5-dimethylpyrazol-3-yl)-1H-indole-3-carboxamide
CID 63116359

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide (CID 63116925) is 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide is CN1CCC(NC(=O)c2c[nH]c3ccc(N)cc23)CC1.
What is the InChIKey of 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide?
The InChIKey is BSLLSHYWLRRDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-19-6-4-11(5-7-19)18-15(20)13-9-17-14-3-2-10(16)8-12(13)14/h2-3,8-9,11,17H,4-7,16H2,1H3,(H,18,20).
What are the key properties of 5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide?
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-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-4-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 63116925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).