ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate

C22H28N4O3 — CID 109238366

IUPACethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)Nc3c(C)cc(C)cc3C)c2)CC1
InChIInChI=1S/C22H28N4O3/c1-5-29-22(28)26-8-6-25(7-9-26)19-12-18(13-23-14-19)21(27)24-20-16(3)10-15(2)11-17(20)4/h10-14H,5-9H2,1-4H3,(H,24,27)
InChIKeyXIDFFPIFGGRWRK-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.54
Rot. Bonds4

About ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate

ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate (PubChem CID 109238366) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
PubChem CID109238366
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Nameethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2cncc(C(=O)Nc3c(C)cc(C)cc3C)c2)CC1
InChIInChI=1S/C22H28N4O3/c1-5-29-22(28)26-8-6-25(7-9-26)19-12-18(13-23-14-19)21(27)24-20-16(3)10-15(2)11-17(20)4/h10-14H,5-9H2,1-4H3,(H,24,27)
InChIKeyXIDFFPIFGGRWRK-UHFFFAOYSA-N
XLogP3.54
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[5-(butan-2-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109225171
5-(4-methylpiperidin-1-yl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109227275
ethyl 4-[5-(1,3-benzodioxol-5-ylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109238382
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
ethyl 4-[5-(4-ethylpiperazine-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109230451
ethyl 4-[[5-(4-acetylpiperazin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109231269
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
5-(morpholine-4-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109103807
ethyl 4-[5-[(3,5-dimethylphenyl)carbamoyl]pyrimidin-2-yl]piperazine-1-carboxylate
CID 109261942
ethyl 4-[5-[(2-methylphenyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106680
3-N-propyl-5-N-(2,4,6-trimethylphenyl)pyridine-3,5-dicarboxamide
CID 109101238
ethyl 4-[5-(2-methyl-2,3-dihydroindole-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109238384

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate (CID 109238366) is ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2cncc(C(=O)Nc3c(C)cc(C)cc3C)c2)CC1.
What is the InChIKey of ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
The InChIKey is XIDFFPIFGGRWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-5-29-22(28)26-8-6-25(7-9-26)19-12-18(13-23-14-19)21(27)24-20-16(3)10-15(2)11-17(20)4/h10-14H,5-9H2,1-4H3,(H,24,27).
What are the key properties of ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate?
ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-[(2,4,6-trimethylphenyl)carbamoyl]-3-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 109238366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).