(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

C16H19N3O2 — CID 63764630

IUPAC(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1cccc2cc(C(=O)N3C4CCC3CC(O)C4)[nH]c12
InChIInChI=1S/C16H19N3O2/c17-13-3-1-2-9-6-14(18-15(9)13)16(21)19-10-4-5-11(19)8-12(20)7-10/h1-3,6,10-12,18,20H,4-5,7-8,17H2
InChIKeySIFDNQKATIUNQQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.88
Rot. Bonds1

About (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone

(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (PubChem CID 63764630) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
PubChem CID63764630
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
SMILESNc1cccc2cc(C(=O)N3C4CCC3CC(O)C4)[nH]c12
InChIInChI=1S/C16H19N3O2/c17-13-3-1-2-9-6-14(18-15(9)13)16(21)19-10-4-5-11(19)8-12(20)7-10/h1-3,6,10-12,18,20H,4-5,7-8,17H2
InChIKeySIFDNQKATIUNQQ-UHFFFAOYSA-N
XLogP1.88
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone with MolForge

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Related Compounds

(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 63117526
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
CID 64682976
7-amino-N-(2-methylcyclopropyl)-1H-indole-2-carboxamide
CID 63117948
7-amino-N-cyclohexyl-1H-indole-2-carboxamide
CID 62057455
4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
CID 63117488
(7-amino-1H-indol-2-yl)-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 107210797
(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585611
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
(3-amino-2-nitrophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 115549075
methyl 7-amino-1H-indole-2-carboxylate
CID 18550972

Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone (CID 63764630) is (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is Nc1cccc2cc(C(=O)N3C4CCC3CC(O)C4)[nH]c12.
What is the InChIKey of (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
The InChIKey is SIFDNQKATIUNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c17-13-3-1-2-9-6-14(18-15(9)13)16(21)19-10-4-5-11(19)8-12(20)7-10/h1-3,6,10-12,18,20H,4-5,7-8,17H2.
What are the key properties of (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone?
(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone is sourced from PubChem (CID 63764630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).