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

C16H26N4O4 — CID 126834546

IUPACethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2cnn(CCOC)c2)C1
InChIInChI=1S/C16H26N4O4/c1-3-24-16(22)13-5-4-6-19(10-13)12-15(21)18-14-9-17-20(11-14)7-8-23-2/h9,11,13H,3-8,10,12H2,1-2H3,(H,18,21)
InChIKeyNJVJEONITKZFTQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP0.74
Rot. Bonds8

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

ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 126834546) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID126834546
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Nameethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(CC(=O)Nc2cnn(CCOC)c2)C1
InChIInChI=1S/C16H26N4O4/c1-3-24-16(22)13-5-4-6-19(10-13)12-15(21)18-14-9-17-20(11-14)7-8-23-2/h9,11,13H,3-8,10,12H2,1-2H3,(H,18,21)
InChIKeyNJVJEONITKZFTQ-UHFFFAOYSA-N
XLogP0.74
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl (3S)-1-[2-(4-acetylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8533005
(3S)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 81118704
ethyl 1-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 51288846
ethyl 1-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperidine-3-carboxylate
CID 4525369
ethyl 1-[2-(3-iodoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 46801115
2-(cyclopentylamino)-N-[1-(2-methoxyethyl)pyrazol-4-yl]acetamide
CID 54928520
ethyl 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperidine-3-carboxylate
CID 51223560
ethyl 1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554656
ethyl (3R)-1-[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561215
ethyl (3S)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339366
ethyl (3R)-1-[2-(cyclopropylmethylamino)-2-oxoethyl]piperidine-3-carboxylate
CID 81339277
ethyl (3R)-1-[2-(3-cyanoanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 8532743

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate (CID 126834546) is ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(CC(=O)Nc2cnn(CCOC)c2)C1.
What is the InChIKey of ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is NJVJEONITKZFTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O4/c1-3-24-16(22)13-5-4-6-19(10-13)12-15(21)18-14-9-17-20(11-14)7-8-23-2/h9,11,13H,3-8,10,12H2,1-2H3,(H,18,21).
What are the key properties of ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 338.41 g/mol, XLogP of 0.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 126834546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).