(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone

C16H21N3O2 — CID 63118076

IUPAC(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc3cccc(N)c3[nH]2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-12-6-4-8-19(10-12)16(20)14-9-11-5-3-7-13(17)15(11)18-14/h3,5,7,9,12,18H,2,4,6,8,10,17H2,1H3
InChIKeyVRDQXRBRDSMWHA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.39
Rot. Bonds3

About (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone

(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 63118076) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
PubChem CID63118076
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cc3cccc(N)c3[nH]2)C1
InChIInChI=1S/C16H21N3O2/c1-2-21-12-6-4-8-19(10-12)16(20)14-9-11-5-3-7-13(17)15(11)18-14/h3,5,7,9,12,18H,2,4,6,8,10,17H2,1H3
InChIKeyVRDQXRBRDSMWHA-UHFFFAOYSA-N
XLogP2.39
TPSA71.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone (CID 63118076) is (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2cc3cccc(N)c3[nH]2)C1.
What is the InChIKey of (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is VRDQXRBRDSMWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-21-12-6-4-8-19(10-12)16(20)14-9-11-5-3-7-13(17)15(11)18-14/h3,5,7,9,12,18H,2,4,6,8,10,17H2,1H3.
What are the key properties of (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone?
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 287.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 63118076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).