ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate

C20H22N4O4 — CID 109098907

IUPACethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C20H22N4O4/c1-2-28-20(27)24-13-11-23(12-14-24)19(26)17-10-6-9-16(22-17)18(25)21-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H,21,25)
InChIKeyTUUUCAQOIVQGCL-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.25
Rot. Bonds4

About ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate (PubChem CID 109098907) has the molecular formula C20H22N4O4 and a molecular weight of 382.42 g/mol. Its IUPAC name is ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
PubChem CID109098907
Molecular FormulaC20H22N4O4
Molecular Weight382.42 g/mol
Exact Mass382.16
IUPAC Nameethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)n2)CC1
InChIInChI=1S/C20H22N4O4/c1-2-28-20(27)24-13-11-23(12-14-24)19(26)17-10-6-9-16(22-17)18(25)21-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H,21,25)
InChIKeyTUUUCAQOIVQGCL-UHFFFAOYSA-N
XLogP2.25
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[6-(azepane-1-carbonyl)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109098906
ethyl 4-[3-(phenylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109055762
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061
ethyl 4-[[6-(4-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109095536
ethyl 4-(6-bromopyridine-2-carbonyl)piperazine-1-carboxylate
CID 103874999
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109097046
ethyl 4-[2-(phenylcarbamoyl)-4-pyridinyl]piperazine-1-carboxylate
CID 109215966
ethyl 4-(6-anilino-2-methylpyrimidine-4-carbonyl)piperazine-1-carboxylate
CID 109373077
6-(4-acetylpiperazine-1-carbonyl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109097056
ethyl 4-[[6-(piperidine-1-carbonyl)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109095151
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
ethyl 4-[2-[6-oxo-3-(phenylcarbamoyl)pyridazin-1-yl]acetyl]piperazine-1-carboxylate
CID 41247675

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate (CID 109098907) is ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)n2)CC1.
What is the InChIKey of ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is TUUUCAQOIVQGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4/c1-2-28-20(27)24-13-11-23(12-14-24)19(26)17-10-6-9-16(22-17)18(25)21-15-7-4-3-5-8-15/h3-10H,2,11-14H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 382.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(phenylcarbamoyl)pyridine-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109098907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).