1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide

C20H23ClN4O2 — CID 24790734

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C20H23ClN4O2/c1-14-10-23-18(11-22-14)12-24-20(27)16-4-7-19(26)25(13-16)9-8-15-2-5-17(21)6-3-15/h2-3,5-6,10-11,16H,4,7-9,12-13H2,1H3,(H,24,27)
InChIKeyOXPWMYMPIJLDRS-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.54
Rot. Bonds6

About 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide

1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide (PubChem CID 24790734) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
PubChem CID24790734
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide
SMILESCc1cnc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1
InChIInChI=1S/C20H23ClN4O2/c1-14-10-23-18(11-22-14)12-24-20(27)16-4-7-19(26)25(13-16)9-8-15-2-5-17(21)6-3-15/h2-3,5-6,10-11,16H,4,7-9,12-13H2,1H3,(H,24,27)
InChIKeyOXPWMYMPIJLDRS-UHFFFAOYSA-N
XLogP2.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.54
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]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide (CID 24790734) is 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide is Cc1cnc(CNC(=O)C2CCC(=O)N(CCc3ccc(Cl)cc3)C2)cn1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is OXPWMYMPIJLDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-14-10-23-18(11-22-14)12-24-20(27)16-4-7-19(26)25(13-16)9-8-15-2-5-17(21)6-3-15/h2-3,5-6,10-11,16H,4,7-9,12-13H2,1H3,(H,24,27).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide?
1-[2-(4-chlorophenyl)ethyl]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 2.54, 6 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]-N-[(5-methylpyrazin-2-yl)methyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).