1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

C19H29N3O3 — CID 883887

IUPAC1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C19H29N3O3/c23-18-4-2-1-3-17(18)15-22-8-5-16(6-9-22)19(24)20-7-10-21-11-13-25-14-12-21/h1-4,16,23H,5-15H2,(H,20,24)
InChIKeyOJINZKNPDGJFEW-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.05
Rot. Bonds6

About 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide

1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (PubChem CID 883887) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
PubChem CID883887
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C19H29N3O3/c23-18-4-2-1-3-17(18)15-22-8-5-16(6-9-22)19(24)20-7-10-21-11-13-25-14-12-21/h1-4,16,23H,5-15H2,(H,20,24)
InChIKeyOJINZKNPDGJFEW-UHFFFAOYSA-N
XLogP1.05
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide (CID 883887) is 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is O=C(NCCN1CCOCC1)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
The InChIKey is OJINZKNPDGJFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c23-18-4-2-1-3-17(18)15-22-8-5-16(6-9-22)19(24)20-7-10-21-11-13-25-14-12-21/h1-4,16,23H,5-15H2,(H,20,24).
What are the key properties of 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide?
1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxyphenyl)methyl]-N-(2-morpholin-4-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 883887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).