1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide

C23H28N6O2 — CID 660662

IUPAC1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide
SMILESN#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)
InChIKeyZARNIAJBXGUBFV-UHFFFAOYSA-N
MW420.52 g/mol
LogP2.39
Rot. Bonds5

About 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide

1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide (PubChem CID 660662) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide
PubChem CID660662
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide
SMILESN#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31)
InChIKeyZARNIAJBXGUBFV-UHFFFAOYSA-N
XLogP2.39
TPSA125.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide (CID 660662) is 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide is N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide?
The InChIKey is ZARNIAJBXGUBFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c24-14-17(23(31)26-16-6-2-1-3-7-16)20-22(28-19-9-5-4-8-18(19)27-20)29-12-10-15(11-13-29)21(25)30/h4-5,8-9,15-17H,1-3,6-7,10-13H2,(H2,25,30)(H,26,31).
What are the key properties of 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide?
1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide has a molecular weight of 420.52 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-cyano-2-(cyclohexylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 660662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).