1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C21H27N3O3 — CID 3316052

IUPAC1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)NCc3ccccn3)CC2)c1O
InChIInChI=1S/C21H27N3O3/c1-2-27-19-8-5-6-17(20(19)25)15-24-12-9-16(10-13-24)21(26)23-14-18-7-3-4-11-22-18/h3-8,11,16,25H,2,9-10,12-15H2,1H3,(H,23,26)
InChIKeyJQVCBBVZICWPSB-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.71
Rot. Bonds7

About 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3316052) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3316052
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(=O)NCc3ccccn3)CC2)c1O
InChIInChI=1S/C21H27N3O3/c1-2-27-19-8-5-6-17(20(19)25)15-24-12-9-16(10-13-24)21(26)23-14-18-7-3-4-11-22-18/h3-8,11,16,25H,2,9-10,12-15H2,1H3,(H,23,26)
InChIKeyJQVCBBVZICWPSB-UHFFFAOYSA-N
XLogP2.71
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.71
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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Related Compounds

1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 30137372
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
N-[(2-chlorophenyl)methyl]-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4319711
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1080800
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 118781434
N-[2-[(3-ethoxy-2-hydroxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602924
1-[(3-ethoxy-2-hydroxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 103881491
1-[(2-ethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 163328645
1-(2-methoxybenzoyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 113004432
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119
2-[[4-(dimethylamino)piperidin-1-yl]methyl]-6-ethoxyphenol
CID 82977269

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 3316052) is 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCOc1cccc(CN2CCC(C(=O)NCc3ccccn3)CC2)c1O.
What is the InChIKey of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is JQVCBBVZICWPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-2-27-19-8-5-6-17(20(19)25)15-24-12-9-16(10-13-24)21(26)23-14-18-7-3-4-11-22-18/h3-8,11,16,25H,2,9-10,12-15H2,1H3,(H,23,26).
What are the key properties of 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-2-hydroxyphenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3316052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).