ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate

C20H23N3O3 — CID 109166245

IUPACethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(25)15-6-8-17(9-7-15)22-19(24)16-10-11-21-18(14-16)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyDPNZIULKSWGGJV-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.50
Rot. Bonds5

About ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate

ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate (PubChem CID 109166245) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
PubChem CID109166245
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(25)15-6-8-17(9-7-15)22-19(24)16-10-11-21-18(14-16)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24)
InChIKeyDPNZIULKSWGGJV-UHFFFAOYSA-N
XLogP3.50
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(3-methylpiperidin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109175803
ethyl 4-[[6-(azepan-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109355569
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
ethyl 4-[4-[(4-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174338
ethyl 4-[[2-(cycloheptylamino)pyridine-4-carbonyl]amino]benzoate
CID 109175107
ethyl 4-[[2-[4-(azepan-1-yl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate
CID 53142149
ethyl 2-(4-methylpiperazin-1-yl)pyridine-4-carboxylate
CID 2762483
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176919
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate (CID 109166245) is ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccnc(N3CCCCC3)c2)cc1.
What is the InChIKey of ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate?
The InChIKey is DPNZIULKSWGGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-26-20(25)15-6-8-17(9-7-15)22-19(24)16-10-11-21-18(14-16)23-12-4-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,24).
What are the key properties of ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate?
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate has a molecular weight of 353.42 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 109166245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).