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

C15H19N3O2 — CID 63117009

IUPAC(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ccc2[nH]cc(C(=O)N3CCCC(CO)C3)c2c1
InChIInChI=1S/C15H19N3O2/c16-11-3-4-14-12(6-11)13(7-17-14)15(20)18-5-1-2-10(8-18)9-19/h3-4,6-7,10,17,19H,1-2,5,8-9,16H2
InChIKeyKJADFFGOGQTWJI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.59
Rot. Bonds2

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

(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 63117009) 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-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID63117009
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
SMILESNc1ccc2[nH]cc(C(=O)N3CCCC(CO)C3)c2c1
InChIInChI=1S/C15H19N3O2/c16-11-3-4-14-12(6-11)13(7-17-14)15(20)18-5-1-2-10(8-18)9-19/h3-4,6-7,10,17,19H,1-2,5,8-9,16H2
InChIKeyKJADFFGOGQTWJI-UHFFFAOYSA-N
XLogP1.59
TPSA82.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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-(methoxymethyl)piperidin-1-yl]methanone
CID 106585591
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43589993
(5-amino-1H-indol-3-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102954842
(5-amino-1H-indol-3-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 63116358
(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
(4-amino-2-chlorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110476221
(5-amino-2,4-dimethylphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 102705090
(6-amino-1H-indol-3-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667079
[3-(hydroxymethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 43403148
(5-amino-2-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107209671
(5-amino-1H-indol-3-yl)-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114407257

Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone (CID 63117009) is (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone is Nc1ccc2[nH]cc(C(=O)N3CCCC(CO)C3)c2c1.
What is the InChIKey of (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is KJADFFGOGQTWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-11-3-4-14-12(6-11)13(7-17-14)15(20)18-5-1-2-10(8-18)9-19/h3-4,6-7,10,17,19H,1-2,5,8-9,16H2.
What are the key properties of (5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone?
(5-amino-1H-indol-3-yl)-[3-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 273.34 g/mol, XLogP of 1.59, 2 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-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63117009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).