[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea

C15H19N5O2 — CID 4158642

IUPAC[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
SMILESNC(=O)/N=N/c1c(O)n(CN2CCCCC2)c2ccccc12
InChIInChI=1S/C15H19N5O2/c16-15(22)18-17-13-11-6-2-3-7-12(11)20(14(13)21)10-19-8-4-1-5-9-19/h2-3,6-7,21H,1,4-5,8-10H2,(H2,16,22)/b18-17+
InChIKeyLCDBTPBQUSHXKH-ISLYRVAYSA-N
MW301.35 g/mol
LogP2.95
Rot. Bonds3

About [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea

[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea (PubChem CID 4158642) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea.

Molecular Properties

Compound Name[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
PubChem CID4158642
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea
SMILESNC(=O)/N=N/c1c(O)n(CN2CCCCC2)c2ccccc12
InChIInChI=1S/C15H19N5O2/c16-15(22)18-17-13-11-6-2-3-7-12(11)20(14(13)21)10-19-8-4-1-5-9-19/h2-3,6-7,21H,1,4-5,8-10H2,(H2,16,22)/b18-17+
InChIKeyLCDBTPBQUSHXKH-ISLYRVAYSA-N
XLogP2.95
TPSA96.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-4-carboxamide
CID 1366307
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]iminopyridine-2-carboxamide
CID 2024237
2-[(E)-benzylideneamino]oxy-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135421185
[1-[(2-chlorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 2406850
2-(4-acetamidophenoxy)-N-[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135537774
3-[(4,6-dimethylpyrimidin-2-yl)diazenyl]-1-(piperidin-1-ylmethyl)indol-2-ol
CID 3554621
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135526911
N-[1-(azepan-1-ylmethyl)-2-hydroxyindol-3-yl]imino-2-[(Z)-1-(4-methoxyphenyl)ethylideneamino]oxyacetamide
CID 135965740
[1-[(4-fluorophenyl)methyl]-2-hydroxyindol-3-yl]iminourea
CID 767162
2-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]oxy-N-[2-hydroxy-1-(pyrrolidin-1-ylmethyl)indol-3-yl]iminoacetamide
CID 135543875
4-bromo-N-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]iminobenzamide
CID 135671924
N'-[2-hydroxy-1-(morpholin-4-ylmethyl)indol-3-yl]imino-N-phenyloxamide
CID 3838815

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea?
The IUPAC name of [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea (CID 4158642) is [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea.
What is the SMILES notation for [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea?
The canonical SMILES for [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea is NC(=O)/N=N/c1c(O)n(CN2CCCCC2)c2ccccc12.
What is the InChIKey of [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea?
The InChIKey is LCDBTPBQUSHXKH-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-15(22)18-17-13-11-6-2-3-7-12(11)20(14(13)21)10-19-8-4-1-5-9-19/h2-3,6-7,21H,1,4-5,8-10H2,(H2,16,22)/b18-17+.
What are the key properties of [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea?
[2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea has a molecular weight of 301.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-1-(piperidin-1-ylmethyl)indol-3-yl]iminourea is sourced from PubChem (CID 4158642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).