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

C16H21N3O2 — CID 106585591

IUPAC(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2c[nH]c3ccc(N)cc23)C1
InChIInChI=1S/C16H21N3O2/c1-21-10-11-3-2-6-19(9-11)16(20)14-8-18-15-5-4-12(17)7-13(14)15/h4-5,7-8,11,18H,2-3,6,9-10,17H2,1H3
InChIKeyHQJJPSUVZXCPOY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.25
Rot. Bonds3

About (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone

(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 106585591) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID106585591
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOCC1CCCN(C(=O)c2c[nH]c3ccc(N)cc23)C1
InChIInChI=1S/C16H21N3O2/c1-21-10-11-3-2-6-19(9-11)16(20)14-8-18-15-5-4-12(17)7-13(14)15/h4-5,7-8,11,18H,2-3,6,9-10,17H2,1H3
InChIKeyHQJJPSUVZXCPOY-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'}

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Related Compounds

(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(5-amino-2-methylphenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 120633127
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156979
(2-amino-3-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585594
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
(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407257
(4-amino-5-chloro-2-methoxyphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 119781775
(2-bromo-4-chlorophenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765515
2-[3-(methoxymethyl)piperidine-1-carbonyl]benzenesulfonamide
CID 106588207

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone (CID 106585591) is (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone is COCC1CCCN(C(=O)c2c[nH]c3ccc(N)cc23)C1.
What is the InChIKey of (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is HQJJPSUVZXCPOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-10-11-3-2-6-19(9-11)16(20)14-8-18-15-5-4-12(17)7-13(14)15/h4-5,7-8,11,18H,2-3,6,9-10,17H2,1H3.
What are the key properties of (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone?
(5-amino-1H-indol-3-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 (5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 106585591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).