ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

C18H28N4O3 — CID 8772836

IUPACethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-25-18(24)14-8-11-21(12-9-14)13-17(23)20-16-7-10-19-22(16)15-5-3-4-6-15/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H,20,23)
InChIKeyHIUYNUIZIVLUER-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.21
Rot. Bonds6

About ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate

ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (PubChem CID 8772836) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
PubChem CID8772836
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Nameethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C18H28N4O3/c1-2-25-18(24)14-8-11-21(12-9-14)13-17(23)20-16-7-10-19-22(16)15-5-3-4-6-15/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H,20,23)
InChIKeyHIUYNUIZIVLUER-UHFFFAOYSA-N
XLogP2.21
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-cyclopentylpyrazol-3-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30666713
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
N-(2-cyclopentylpyrazol-3-yl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 46613977
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide;dihydrochloride
CID 120771614
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 9438130
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
ethyl 1-[2-[4-(butanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxylate
CID 54837939
N-(2-cyclohexylpyrazol-3-yl)-2-(2-methylimidazol-1-yl)acetamide
CID 46997255
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 37407972
ethyl 1-[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 8931481
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708761

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate (CID 8772836) is ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(=O)Nc2ccnn2C2CCCC2)CC1.
What is the InChIKey of ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
The InChIKey is HIUYNUIZIVLUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-2-25-18(24)14-8-11-21(12-9-14)13-17(23)20-16-7-10-19-22(16)15-5-3-4-6-15/h7,10,14-15H,2-6,8-9,11-13H2,1H3,(H,20,23).
What are the key properties of ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate?
ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate has a molecular weight of 348.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate is sourced from PubChem (CID 8772836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).