3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide

C13H19N3O2 — CID 43375553

IUPAC3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC(O)CC2)c(N)c1
InChIInChI=1S/C13H19N3O2/c14-12-7-9(13(15)18)1-2-10(12)8-16-5-3-11(17)4-6-16/h1-2,7,11,17H,3-6,8,14H2,(H2,15,18)
InChIKeyHULWGYSCQHERPK-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.32
Rot. Bonds3

About 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide

3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide (PubChem CID 43375553) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
PubChem CID43375553
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
SMILESNC(=O)c1ccc(CN2CCC(O)CC2)c(N)c1
InChIInChI=1S/C13H19N3O2/c14-12-7-9(13(15)18)1-2-10(12)8-16-5-3-11(17)4-6-16/h1-2,7,11,17H,3-6,8,14H2,(H2,15,18)
InChIKeyHULWGYSCQHERPK-UHFFFAOYSA-N
XLogP0.32
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(4-tert-butylpiperidin-1-yl)methyl]benzamide
CID 62089139
3-fluoro-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]benzamide
CID 79031716
3-amino-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 43376136
3-amino-4-[(4-methylpiperidin-1-yl)methyl]-N-propan-2-ylbenzamide
CID 82167867
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[(2-ethylazepan-1-yl)methyl]benzamide
CID 104689056
3-amino-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylmethyl)benzamide
CID 43375509
3-amino-4-[(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 79181075
1-[(2-amino-4-chlorophenyl)methyl]pyrrolidin-3-ol
CID 62941868
4-[(2-amino-4-carbamoylphenyl)methyl]morpholine-3-carboxamide
CID 83101795
3-fluoro-4-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]benzamide
CID 114681500
3-amino-4-[(4-methyl-2-oxopyrrolidin-1-yl)methyl]benzamide
CID 63103190

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The IUPAC name of 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide (CID 43375553) is 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The canonical SMILES for 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide is NC(=O)c1ccc(CN2CCC(O)CC2)c(N)c1.
What is the InChIKey of 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
The InChIKey is HULWGYSCQHERPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-12-7-9(13(15)18)1-2-10(12)8-16-5-3-11(17)4-6-16/h1-2,7,11,17H,3-6,8,14H2,(H2,15,18).
What are the key properties of 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide?
3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 43375553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).