4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide

C21H25N3O4 — CID 89182420

IUPAC4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide
SMILESCONC(=O)c1ccc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc1O
InChIInChI=1S/C21H25N3O4/c1-28-23-20(26)18-6-5-17(12-19(18)25)21(27)24-9-7-15(8-10-24)16-4-2-3-14(11-16)13-22/h2-6,11-12,15,25H,7-10,13,22H2,1H3,(H,23,26)
InChIKeyGDBAFZBJPZDNBJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.16
Rot. Bonds5

About 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide

4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide (PubChem CID 89182420) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide.

Molecular Properties

Compound Name4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide
PubChem CID89182420
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC Name4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide
SMILESCONC(=O)c1ccc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc1O
InChIInChI=1S/C21H25N3O4/c1-28-23-20(26)18-6-5-17(12-19(18)25)21(27)24-9-7-15(8-10-24)16-4-2-3-14(11-16)13-22/h2-6,11-12,15,25H,7-10,13,22H2,1H3,(H,23,26)
InChIKeyGDBAFZBJPZDNBJ-UHFFFAOYSA-N
XLogP2.16
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide?
The IUPAC name of 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide (CID 89182420) is 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide.
What is the SMILES notation for 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide?
The canonical SMILES for 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide is CONC(=O)c1ccc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc1O.
What is the InChIKey of 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide?
The InChIKey is GDBAFZBJPZDNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-28-23-20(26)18-6-5-17(12-19(18)25)21(27)24-9-7-15(8-10-24)16-4-2-3-14(11-16)13-22/h2-6,11-12,15,25H,7-10,13,22H2,1H3,(H,23,26).
What are the key properties of 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide?
4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide has a molecular weight of 383.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-2-hydroxy-N-methoxybenzamide is sourced from PubChem (CID 89182420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).