1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide

C13H19N3O2 — CID 43375566

IUPAC1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(O)c(N)c2)C1
InChIInChI=1S/C13H19N3O2/c14-11-6-9(3-4-12(11)17)7-16-5-1-2-10(8-16)13(15)18/h3-4,6,10,17H,1-2,5,7-8,14H2,(H2,15,18)
InChIKeyDCSABLXATWJOHE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.67
Rot. Bonds3

About 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide

1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 43375566) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID43375566
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(Cc2ccc(O)c(N)c2)C1
InChIInChI=1S/C13H19N3O2/c14-11-6-9(3-4-12(11)17)7-16-5-1-2-10(8-16)13(15)18/h3-4,6,10,17H,1-2,5,7-8,14H2,(H2,15,18)
InChIKeyDCSABLXATWJOHE-UHFFFAOYSA-N
XLogP0.67
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 ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide (CID 43375566) is 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide is NC(=O)C1CCCN(Cc2ccc(O)c(N)c2)C1.
What is the InChIKey of 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DCSABLXATWJOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-11-6-9(3-4-12(11)17)7-16-5-1-2-10(8-16)13(15)18/h3-4,6,10,17H,1-2,5,7-8,14H2,(H2,15,18).
What are the key properties of 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide?
1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-hydroxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 43375566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).