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

C14H17N3O2 — CID 63117526

IUPAC(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cccc2cc(C(=O)N3CCCC(O)C3)[nH]c12
InChIInChI=1S/C14H17N3O2/c15-11-5-1-3-9-7-12(16-13(9)11)14(19)17-6-2-4-10(18)8-17/h1,3,5,7,10,16,18H,2,4,6,8,15H2
InChIKeyRDDFQSZVXBCONF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.35
Rot. Bonds1

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

(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 63117526) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID63117526
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESNc1cccc2cc(C(=O)N3CCCC(O)C3)[nH]c12
InChIInChI=1S/C14H17N3O2/c15-11-5-1-3-9-7-12(16-13(9)11)14(19)17-6-2-4-10(18)8-17/h1,3,5,7,10,16,18H,2,4,6,8,15H2
InChIKeyRDDFQSZVXBCONF-UHFFFAOYSA-N
XLogP1.35
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(7-amino-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 63117509
(7-amino-1H-indol-2-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 63118076
(7-amino-1H-indol-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585611
(7-amino-1H-indol-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 62058735
(7-amino-1H-indol-2-yl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764630
(7-amino-1H-indol-2-yl)-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81205975
4-(7-amino-1H-indole-2-carbonyl)piperazin-2-one
CID 63117488
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
(3-amino-2-hydroxyphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 89246142
(3-amino-2-hydroxyphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 58736699
4-(7-amino-1H-indole-2-carbonyl)-1-methylpiperazin-2-one
CID 64682976
(2-amino-6-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211671

Frequently Asked Questions

What is the IUPAC name of (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 63117526) is (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone is Nc1cccc2cc(C(=O)N3CCCC(O)C3)[nH]c12.
What is the InChIKey of (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is RDDFQSZVXBCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-11-5-1-3-9-7-12(16-13(9)11)14(19)17-6-2-4-10(18)8-17/h1,3,5,7,10,16,18H,2,4,6,8,15H2.
What are the key properties of (7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone?
(7-amino-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 259.31 g/mol, XLogP of 1.35, 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-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 63117526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).