ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate

C21H27N3O3 — CID 24791155

IUPACethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-3-24-15-18(14-22-24)19(25)23-12-8-11-21(16-23,20(26)27-4-2)13-17-9-6-5-7-10-17/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3
InChIKeyBJGAJSLAFMHIEZ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.93
Rot. Bonds6

About ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate

ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate (PubChem CID 24791155) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate
PubChem CID24791155
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Nameethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cnn(CC)c2)C1
InChIInChI=1S/C21H27N3O3/c1-3-24-15-18(14-22-24)19(25)23-12-8-11-21(16-23,20(26)27-4-2)13-17-9-6-5-7-10-17/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3
InChIKeyBJGAJSLAFMHIEZ-UHFFFAOYSA-N
XLogP2.93
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16187284
ethyl 3-(2-methylbenzyl)-1-[3-(5-methyl-1H-pyrazol-1-yl)propanoyl]-3-piperidinecarboxylate
CID 16187578
ethyl 3-benzyl-1-[3-(1H-pyrazol-1-yl)propyl]piperidine-3-carboxylate
CID 16187638
ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxylate
CID 16188448
ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-(3-fluorobenzyl)-4-piperidinecarboxylate
CID 16190374
ethyl 4-(3-phenylpropyl)-1-[3-(1H-pyrazol-1-yl)propyl]-4-piperidinecarboxylate
CID 16191387
ethyl 3-(3-chlorobenzyl)-1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarboxylate
CID 24790289
[1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-(2-methylbenzyl)-3-piperidinyl]methanol
CID 24792092
ethyl 3-benzyl-1-(1H-pyrazole-4-carbonyl)piperidine-3-carboxylate
CID 24817345
ethyl 1-[3-(1-methyl-1H-pyrazol-4-yl)propanoyl]-4-(2-phenylethyl)-4-piperidinecarboxylate
CID 16187322
ethyl 1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16189201
ethyl 1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-(2-methylbenzyl)-3-piperidinecarboxylate
CID 16189418

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate (CID 24791155) is ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate is CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cnn(CC)c2)C1.
What is the InChIKey of ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate?
The InChIKey is BJGAJSLAFMHIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-3-24-15-18(14-22-24)19(25)23-12-8-11-21(16-23,20(26)27-4-2)13-17-9-6-5-7-10-17/h5-7,9-10,14-15H,3-4,8,11-13,16H2,1-2H3.
What are the key properties of ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate?
ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate has a molecular weight of 369.47 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-1-(1-ethylpyrazole-4-carbonyl)piperidine-3-carboxylate is sourced from PubChem (CID 24791155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).