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

C16H21N3O — CID 63118334

IUPAC(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3cc(N)ccc3[nH]2)C1C
InChIInChI=1S/C16H21N3O/c1-10-4-3-7-19(11(10)2)16(20)15-9-12-8-13(17)5-6-14(12)18-15/h5-6,8-11,18H,3-4,7,17H2,1-2H3
InChIKeyHKEFHQVLWJALMU-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.01
Rot. Bonds1

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

(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone (PubChem CID 63118334) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
PubChem CID63118334
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)c2cc3cc(N)ccc3[nH]2)C1C
InChIInChI=1S/C16H21N3O/c1-10-4-3-7-19(11(10)2)16(20)15-9-12-8-13(17)5-6-14(12)18-15/h5-6,8-11,18H,3-4,7,17H2,1-2H3
InChIKeyHKEFHQVLWJALMU-UHFFFAOYSA-N
XLogP3.01
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-1H-indol-2-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 63118391
(5-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62057750
(5-amino-1H-indol-2-yl)-(3-ethylpiperidin-1-yl)methanone
CID 62057298
(5-amino-2-bromophenyl)-(2,3-dimethylpiperidin-1-yl)methanone
CID 62122988
5-amino-N-(2,3-dimethylcyclohexyl)-1H-indole-2-carboxamide
CID 63117889
(5-amino-1H-indol-2-yl)-(3-ethylmorpholin-4-yl)methanone
CID 63117810
5-amino-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 63118303
(5-amino-1H-indol-2-yl)-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 59529905
1-(5-amino-1H-indol-2-yl)ethanone
CID 59837588
cyclobutyl 5-amino-1H-indole-2-carboxylate
CID 107363368
(2-cyclopentylpyrrolidin-1-yl)-(5-fluoro-1H-indol-2-yl)methanone
CID 87042859
(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
CID 63118310

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone (CID 63118334) is (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone is CC1CCCN(C(=O)c2cc3cc(N)ccc3[nH]2)C1C.
What is the InChIKey of (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
The InChIKey is HKEFHQVLWJALMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10-4-3-7-19(11(10)2)16(20)15-9-12-8-13(17)5-6-14(12)18-15/h5-6,8-11,18H,3-4,7,17H2,1-2H3.
What are the key properties of (5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone?
(5-amino-1H-indol-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone has a molecular weight of 271.36 g/mol, XLogP of 3.01, 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-2-yl)-(2,3-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 63118334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).