ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate

C20H30N4O4 — CID 51999805

IUPACethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)CC1
InChIInChI=1S/C20H30N4O4/c1-3-28-20(27)15-9-11-24(12-10-15)19(26)16-13-17(23(2)22-16)21-18(25)14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3,(H,21,25)
InChIKeyYNZZMTFOHAJINJ-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.35
Rot. Bonds5

About ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate (PubChem CID 51999805) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate
PubChem CID51999805
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Nameethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)CC1
InChIInChI=1S/C20H30N4O4/c1-3-28-20(27)15-9-11-24(12-10-15)19(26)16-13-17(23(2)22-16)21-18(25)14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3,(H,21,25)
InChIKeyYNZZMTFOHAJINJ-UHFFFAOYSA-N
XLogP2.35
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 51999806
3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate
CID 25057248
ethyl 1-(3-tert-butyl-1-methylpyrazole-5-carbonyl)azepane-4-carboxylate
CID 46947984
ethyl 1-(6-oxo-1H-pyrimidine-4-carbonyl)piperidine-4-carboxylate
CID 137147280
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylate
CID 36800218
N-(2,5-dimethylpyrazol-3-yl)-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 136576685
ethyl 1-(2-piperidin-1-ylpyridine-4-carbonyl)piperidine-4-carboxylate
CID 84573349
ethyl 1-(6-bromopyrazolo[1,5-a]pyrimidine-2-carbonyl)piperidine-4-carboxylate
CID 4775673
ethyl 1-(5-chloropyrazine-2-carbonyl)piperidine-4-carboxylate
CID 103803169
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646076
ethyl 1-[6-(cyclopentylcarbamoyl)-5,6-dimethyl-4-oxo-7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]piperidine-4-carboxylate
CID 20919425

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate (CID 51999805) is ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cc(NC(=O)C3CCCCC3)n(C)n2)CC1.
What is the InChIKey of ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is YNZZMTFOHAJINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-3-28-20(27)15-9-11-24(12-10-15)19(26)16-13-17(23(2)22-16)21-18(25)14-7-5-4-6-8-14/h13-15H,3-12H2,1-2H3,(H,21,25).
What are the key properties of ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 390.48 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 51999805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).