4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide

C14H19N3O2 — CID 55235657

IUPAC4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2C3CCC2CC(O)C3)c1
InChIInChI=1S/C14H19N3O2/c15-12-4-1-8(14(16)19)5-13(12)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,15H2,(H2,16,19)
InChIKeyJXZKRUPJHMBSNC-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.86
Rot. Bonds2

About 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide

4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide (PubChem CID 55235657) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide
PubChem CID55235657
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide
SMILESNC(=O)c1ccc(N)c(N2C3CCC2CC(O)C3)c1
InChIInChI=1S/C14H19N3O2/c15-12-4-1-8(14(16)19)5-13(12)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,15H2,(H2,16,19)
InChIKeyJXZKRUPJHMBSNC-UHFFFAOYSA-N
XLogP0.86
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.86
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-(piperidin-1-yl)benzamide
CID 2060063
3-(2,5-Dioxo-1-pyrrolidinyl)-4-(1-piperidinyl)benzamide
CID 895859
N-[1-(cyclopropylmethyl)pyrrolidin-3-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 71984305
4-[4-(3-Hydroxypropyl)piperazin-1-yl]benzamide
CID 72010405
2-[1-(3-Aminobenzoyl)piperidin-2-yl]ethan-1-ol
CID 16789356
3-Amino-4-(2-methyl-1-piperidinyl)benzamide
CID 43448268
3-Fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzaldehyde
CID 55237601
(4-Amino-3-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55242003
(5-Amino-2-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 55242007
1-[3-Fluoro-4-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)phenyl]ethanone
CID 63762586
(3-Amino-4-fluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63763751
(5-Amino-2,4-difluorophenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 63764281

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide?
The IUPAC name of 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide (CID 55235657) is 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide.
What is the SMILES notation for 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide?
The canonical SMILES for 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide is NC(=O)c1ccc(N)c(N2C3CCC2CC(O)C3)c1.
What is the InChIKey of 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide?
The InChIKey is JXZKRUPJHMBSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c15-12-4-1-8(14(16)19)5-13(12)17-9-2-3-10(17)7-11(18)6-9/h1,4-5,9-11,18H,2-3,6-7,15H2,(H2,16,19).
What are the key properties of 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide?
4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide has a molecular weight of 261.32 g/mol, XLogP of 0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzamide is sourced from PubChem (CID 55235657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).