(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

C15H19N3O2 — CID 102954842

IUPAC(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1O
InChIInChI=1S/C15H19N3O2/c1-9-4-5-18(8-14(9)19)15(20)12-7-17-13-3-2-10(16)6-11(12)13/h2-3,6-7,9,14,17,19H,4-5,8,16H2,1H3
InChIKeyPSZSRUAQOVQWEM-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds1

About (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone

(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 102954842) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID102954842
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1O
InChIInChI=1S/C15H19N3O2/c1-9-4-5-18(8-14(9)19)15(20)12-7-17-13-3-2-10(16)6-11(12)13/h2-3,6-7,9,14,17,19H,4-5,8,16H2,1H3
InChIKeyPSZSRUAQOVQWEM-UHFFFAOYSA-N
XLogP1.59
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.59
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

(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
(5-amino-1H-indol-3-yl)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407257
(5-amino-1H-indol-3-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 63156979
(5-amino-1H-indol-3-yl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 63117029
(6-amino-1H-indol-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504928
5-amino-N-(1-methylpiperidin-4-yl)-1H-indole-3-carboxamide
CID 63116925
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305
(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63116358
5-amino-N-[(1-methylpyrrolidin-3-yl)methyl]-1H-indole-3-carboxamide
CID 63116899

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone (CID 102954842) is (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2c[nH]c3ccc(N)cc23)CC1O.
What is the InChIKey of (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is PSZSRUAQOVQWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9-4-5-18(8-14(9)19)15(20)12-7-17-13-3-2-10(16)6-11(12)13/h2-3,6-7,9,14,17,19H,4-5,8,16H2,1H3.
What are the key properties of (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone?
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 273.34 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 102954842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).