(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C16H21N3O2 — CID 63116358

IUPAC(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1ccc2[nH]cc(C(=O)N3CCCCC3CCO)c2c1
InChIInChI=1S/C16H21N3O2/c17-11-4-5-15-13(9-11)14(10-18-15)16(21)19-7-2-1-3-12(19)6-8-20/h4-5,9-10,12,18,20H,1-3,6-8,17H2
InChIKeyKSNXLESGVSNNGU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.13
Rot. Bonds3

About (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 63116358) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID63116358
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
SMILESNc1ccc2[nH]cc(C(=O)N3CCCCC3CCO)c2c1
InChIInChI=1S/C16H21N3O2/c17-11-4-5-15-13(9-11)14(10-18-15)16(21)19-7-2-1-3-12(19)6-8-20/h4-5,9-10,12,18,20H,1-3,6-8,17H2
InChIKeyKSNXLESGVSNNGU-UHFFFAOYSA-N
XLogP2.13
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.13
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)-(2-methylpiperidin-1-yl)methanone
CID 63116363
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 63117009
[1-[(5-amino-1H-indol-3-yl)sulfonyl]piperidin-2-yl]methanol
CID 64851482
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
(5-amino-2,4-dimethylphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 102704877
1H-indol-3-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316389
(2,5-dihydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107722292
(5-amino-1H-indazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 60905246
5-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-indole-3-carboxamide
CID 63116494
(5-amino-1H-indol-3-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(4-amino-3-hydroxyphenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107073768
(5-amino-2-bromo-4-fluorophenyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62814891

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 63116358) is (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is Nc1ccc2[nH]cc(C(=O)N3CCCCC3CCO)c2c1.
What is the InChIKey of (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is KSNXLESGVSNNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c17-11-4-5-15-13(9-11)14(10-18-15)16(21)19-7-2-1-3-12(19)6-8-20/h4-5,9-10,12,18,20H,1-3,6-8,17H2.
What are the key properties of (5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?
(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 287.36 g/mol, XLogP of 2.13, 3 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)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63116358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).