(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone

C15H19N3O — CID 63116363

IUPAC(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H19N3O/c1-10-4-2-3-7-18(10)15(19)13-9-17-14-6-5-11(16)8-12(13)14/h5-6,8-10,17H,2-4,7,16H2,1H3
InChIKeyBDKZVKIVPYYLBT-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds1

About (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone

(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 63116363) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID63116363
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C15H19N3O/c1-10-4-2-3-7-18(10)15(19)13-9-17-14-6-5-11(16)8-12(13)14/h5-6,8-10,17H,2-4,7,16H2,1H3
InChIKeyBDKZVKIVPYYLBT-UHFFFAOYSA-N
XLogP2.76
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63116358
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
(5-amino-2-fluorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 60974941
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(4-amino-2-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 119781055
(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
(5-amino-2-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 81319885

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone (CID 63116363) is (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is BDKZVKIVPYYLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-4-2-3-7-18(10)15(19)13-9-17-14-6-5-11(16)8-12(13)14/h5-6,8-10,17H,2-4,7,16H2,1H3.
What are the key properties of (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone?
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 257.34 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63116363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).