1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

C19H23ClN4O2 — CID 24790234

IUPAC1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H23ClN4O2/c20-17-5-2-15(3-6-17)8-12-23-14-16(4-7-18(23)25)19(26)21-10-13-24-11-1-9-22-24/h1-3,5-6,9,11,16H,4,7-8,10,12-14H2,(H,21,26)
InChIKeyBQFGPIZVCVLJNU-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.13
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 24790234) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
PubChem CID24790234
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccn1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C19H23ClN4O2/c20-17-5-2-15(3-6-17)8-12-23-14-16(4-7-18(23)25)19(26)21-10-13-24-11-1-9-22-24/h1-3,5-6,9,11,16H,4,7-8,10,12-14H2,(H,21,26)
InChIKeyBQFGPIZVCVLJNU-UHFFFAOYSA-N
XLogP2.13
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide (CID 24790234) is 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is O=C(NCCn1cccn1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is BQFGPIZVCVLJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-17-5-2-15(3-6-17)8-12-23-14-16(4-7-18(23)25)19(26)21-10-13-24-11-1-9-22-24/h1-3,5-6,9,11,16H,4,7-8,10,12-14H2,(H,21,26).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-6-oxo-N-(2-pyrazol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).