1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

C20H23ClN4O2 — CID 24790830

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN4O2/c1-24(14-18-12-22-9-10-23-18)20(27)16-4-7-19(26)25(13-16)11-8-15-2-5-17(21)6-3-15/h2-3,5-6,9-10,12,16H,4,7-8,11,13-14H2,1H3
InChIKeyYPDAHHLKNYWMPL-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.57
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 24790830) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID24790830
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
SMILESCN(Cc1cnccn1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClN4O2/c1-24(14-18-12-22-9-10-23-18)20(27)16-4-7-19(26)25(13-16)11-8-15-2-5-17(21)6-3-15/h2-3,5-6,9-10,12,16H,4,7-8,11,13-14H2,1H3
InChIKeyYPDAHHLKNYWMPL-UHFFFAOYSA-N
XLogP2.57
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide (CID 24790830) is 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is CN(Cc1cnccn1)C(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YPDAHHLKNYWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-24(14-18-12-22-9-10-23-18)20(27)16-4-7-19(26)25(13-16)11-8-15-2-5-17(21)6-3-15/h2-3,5-6,9-10,12,16H,4,7-8,11,13-14H2,1H3.
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).