ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate

C19H26N4O2 — CID 50979626

IUPACethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-25-19(24)22-13-9-16(10-14-22)21-15(2)17-7-4-5-8-18(17)23-12-6-11-20-23/h4-8,11-12,15-16,21H,3,9-10,13-14H2,1-2H3
InChIKeyQVZVHKBKRJZBSM-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.14
Rot. Bonds5

About ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate

ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate (PubChem CID 50979626) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate
PubChem CID50979626
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nameethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(C)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H26N4O2/c1-3-25-19(24)22-13-9-16(10-14-22)21-15(2)17-7-4-5-8-18(17)23-12-6-11-20-23/h4-8,11-12,15-16,21H,3,9-10,13-14H2,1-2H3
InChIKeyQVZVHKBKRJZBSM-UHFFFAOYSA-N
XLogP3.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate (CID 50979626) is ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(C)c2ccccc2-n2cccn2)CC1.
What is the InChIKey of ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate?
The InChIKey is QVZVHKBKRJZBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-25-19(24)22-13-9-16(10-14-22)21-15(2)17-7-4-5-8-18(17)23-12-6-11-20-23/h4-8,11-12,15-16,21H,3,9-10,13-14H2,1-2H3.
What are the key properties of ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate?
ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(2-pyrazol-1-ylphenyl)ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 50979626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).