(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone

C16H21N3O2 — CID 106585611

IUPAC(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cc3cccc(N)c3[nH]2)C1
InChIInChI=1S/C16H21N3O2/c1-21-10-11-4-3-7-19(9-11)16(20)14-8-12-5-2-6-13(17)15(12)18-14/h2,5-6,8,11,18H,3-4,7,9-10,17H2,1H3
InChIKeyYJVRWOHUYVPSRO-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.25
Rot. Bonds3

About (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106585611) 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-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106585611
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2cc3cccc(N)c3[nH]2)C1
InChIInChI=1S/C16H21N3O2/c1-21-10-11-4-3-7-19(9-11)16(20)14-8-12-5-2-6-13(17)15(12)18-14/h2,5-6,8,11,18H,3-4,7,9-10,17H2,1H3
InChIKeyYJVRWOHUYVPSRO-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63117526
1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
(2-amino-6-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585622
(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205975
[3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-(7-fluoro-1H-indol-2-yl)methanone
CID 110113161
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
(3-amino-4-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585621
4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
CID 64682976

Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106585611) is (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2cc3cccc(N)c3[nH]2)C1.
What is the InChIKey of (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is YJVRWOHUYVPSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-10-11-4-3-7-19(9-11)16(20)14-8-12-5-2-6-13(17)15(12)18-14/h2,5-6,8,11,18H,3-4,7,9-10,17H2,1H3.
What are the key properties of (7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 2.25, 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-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106585611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).