[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate

C15H22N4O3 — CID 69364575

IUPAC[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCNC(=O)COC(=O)N1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C15H22N4O3/c1-3-16-14(20)11-22-15(21)19-8-6-18(7-9-19)13-5-4-12(2)10-17-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,20)
InChIKeyLMCALQZNTLKXMD-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.78
Rot. Bonds4

About [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate

[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate (PubChem CID 69364575) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
PubChem CID69364575
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate
SMILESCCNC(=O)COC(=O)N1CCN(c2ccc(C)cn2)CC1
InChIInChI=1S/C15H22N4O3/c1-3-16-14(20)11-22-15(21)19-8-6-18(7-9-19)13-5-4-12(2)10-17-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,20)
InChIKeyLMCALQZNTLKXMD-UHFFFAOYSA-N
XLogP0.78
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
ethyl 4-[5-[(3-methylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014225
N-(4-butylphenyl)-4-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159393229
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
(2-amino-2-oxoethyl) N-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]carbamate
CID 68574049
ethyl 4-[5-[(2-fluorophenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109156537
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
ethyl 4-[6-[[2-(4-methylphenyl)acetyl]amino]pyridazin-3-yl]piperazine-1-carboxylate
CID 113043606

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate (CID 69364575) is [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate is CCNC(=O)COC(=O)N1CCN(c2ccc(C)cn2)CC1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate?
The InChIKey is LMCALQZNTLKXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-16-14(20)11-22-15(21)19-8-6-18(7-9-19)13-5-4-12(2)10-17-13/h4-5,10H,3,6-9,11H2,1-2H3,(H,16,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate?
[2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-(5-methyl-2-pyridinyl)piperazine-1-carboxylate is sourced from PubChem (CID 69364575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).