2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide

C23H29N5O — CID 659494

IUPAC2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide
SMILESCC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H29N5O/c1-16-11-13-28(14-12-16)22-21(26-19-9-5-6-10-20(19)27-22)18(15-24)23(29)25-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3,(H,25,29)
InChIKeySMCSWMQYXDMEQN-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.92
Rot. Bonds4

About 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide

2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide (PubChem CID 659494) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide
PubChem CID659494
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide
SMILESCC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C23H29N5O/c1-16-11-13-28(14-12-16)22-21(26-19-9-5-6-10-20(19)27-22)18(15-24)23(29)25-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3,(H,25,29)
InChIKeySMCSWMQYXDMEQN-UHFFFAOYSA-N
XLogP3.92
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide?
The IUPAC name of 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide (CID 659494) is 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide.
What is the SMILES notation for 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide?
The canonical SMILES for 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide is CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide?
The InChIKey is SMCSWMQYXDMEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-11-13-28(14-12-16)22-21(26-19-9-5-6-10-20(19)27-22)18(15-24)23(29)25-17-7-3-2-4-8-17/h5-6,9-10,16-18H,2-4,7-8,11-14H2,1H3,(H,25,29).
What are the key properties of 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide?
2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide has a molecular weight of 391.52 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclohexyl-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]acetamide is sourced from PubChem (CID 659494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).