ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate

C15H22N4O4 — CID 91945727

IUPACethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C15H22N4O4/c1-3-23-15(22)11-4-8-19(9-5-11)13(20)10-16-14(21)12-6-7-18(2)17-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,21)
InChIKeyUIZPLEVZALGQKY-UHFFFAOYSA-N
MW322.37 g/mol
LogP-0.05
Rot. Bonds5

About ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate

ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate (PubChem CID 91945727) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
PubChem CID91945727
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC Nameethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CNC(=O)c2ccn(C)n2)CC1
InChIInChI=1S/C15H22N4O4/c1-3-23-15(22)11-4-8-19(9-5-11)13(20)10-16-14(21)12-6-7-18(2)17-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,21)
InChIKeyUIZPLEVZALGQKY-UHFFFAOYSA-N
XLogP-0.05
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
N-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-1-methylpyrazole-3-carboxamide
CID 97465240
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
1-[3-(4-ethoxycarbonylpiperidin-1-yl)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19470608
ethyl 1-[2-(methylamino)acetyl]piperidine-4-carboxylate
CID 43086020
ethyl 1-[2-(cyclopropylamino)acetyl]piperidine-4-carboxylate
CID 54917942
ethyl 1-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]propanoyl]piperidine-4-carboxylate
CID 91945943
ethyl 1-[2-(tert-butylamino)acetyl]piperidine-4-carboxylate
CID 47010749
N-(2-amino-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide
CID 103117884
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
CID 54812742
ethyl 1-[N'-methyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]carbamimidoyl]piperidine-4-carboxylate
CID 111156387

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate (CID 91945727) is ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CNC(=O)c2ccn(C)n2)CC1.
What is the InChIKey of ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate?
The InChIKey is UIZPLEVZALGQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-3-23-15(22)11-4-8-19(9-5-11)13(20)10-16-14(21)12-6-7-18(2)17-12/h6-7,11H,3-5,8-10H2,1-2H3,(H,16,21).
What are the key properties of ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate?
ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate has a molecular weight of 322.37 g/mol, XLogP of -0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(1-methylpyrazole-3-carbonyl)amino]acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 91945727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).