2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide

C16H25N3O3 — CID 131951666

IUPAC2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
SMILESNc1ccc(O)cc1C(=O)NCCCN1CCCC(CO)C1
InChIInChI=1S/C16H25N3O3/c17-15-5-4-13(21)9-14(15)16(22)18-6-2-8-19-7-1-3-12(10-19)11-20/h4-5,9,12,20-21H,1-3,6-8,10-11,17H2,(H,18,22)
InChIKeyDJRIBKKRPXMSDU-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.80
Rot. Bonds6

About 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide

2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide (PubChem CID 131951666) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
PubChem CID131951666
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
SMILESNc1ccc(O)cc1C(=O)NCCCN1CCCC(CO)C1
InChIInChI=1S/C16H25N3O3/c17-15-5-4-13(21)9-14(15)16(22)18-6-2-8-19-7-1-3-12(10-19)11-20/h4-5,9,12,20-21H,1-3,6-8,10-11,17H2,(H,18,22)
InChIKeyDJRIBKKRPXMSDU-UHFFFAOYSA-N
XLogP0.80
TPSA98.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
2-amino-5-hydroxy-N-(4-hydroxybutyl)benzamide
CID 102739502
1-cyclopropyl-3-[3-[(3S)-3-(hydroxymethyl)piperidin-1-yl]propyl]-1-[(3-hydroxyphenyl)methyl]urea
CID 126436449
4-(3-fluorophenyl)-N-[3-[(3R)-3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 124754991
4-(3-fluorophenyl)-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide
CID 91841476
2-hydroxy-5-[3-[3-(hydroxymethyl)piperidin-1-yl]propylsulfamoyl]benzoic acid
CID 131949145
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-5-hydroxybenzamide
CID 107075001
2-amino-5-hydroxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 107075964
1-cyclopropyl-3-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]-1-(thiophen-3-ylmethyl)urea
CID 121496928
N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 74239780
[1-(2-amino-5-hydroxybenzoyl)piperidin-3-yl]methylurea
CID 107074607
4-chloro-2-fluoro-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119720

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide (CID 131951666) is 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide is Nc1ccc(O)cc1C(=O)NCCCN1CCCC(CO)C1.
What is the InChIKey of 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
The InChIKey is DJRIBKKRPXMSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c17-15-5-4-13(21)9-14(15)16(22)18-6-2-8-19-7-1-3-12(10-19)11-20/h4-5,9,12,20-21H,1-3,6-8,10-11,17H2,(H,18,22).
What are the key properties of 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide?
2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide has a molecular weight of 307.39 g/mol, XLogP of 0.80, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[3-[3-(hydroxymethyl)piperidin-1-yl]propyl]benzamide is sourced from PubChem (CID 131951666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).