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

C23H29N5O — CID 7367775

IUPAC(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide
SMILESC[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H29N5O/c1-16-8-7-13-28(15-16)22-21(26-19-11-5-6-12-20(19)27-22)18(14-24)23(29)25-17-9-3-2-4-10-17/h5-6,11-12,16-18H,2-4,7-10,13,15H2,1H3,(H,25,29)/t16-,18+/m0/s1
InChIKeyQNNXJGVOSXPZJY-FUHWJXTLSA-N
MW391.52 g/mol
LogP3.92
Rot. Bonds4

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

(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide (PubChem CID 7367775) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide
PubChem CID7367775
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide
SMILESC[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1
InChIInChI=1S/C23H29N5O/c1-16-8-7-13-28(15-16)22-21(26-19-11-5-6-12-20(19)27-22)18(14-24)23(29)25-17-9-3-2-4-10-17/h5-6,11-12,16-18H,2-4,7-10,13,15H2,1H3,(H,25,29)/t16-,18+/m0/s1
InChIKeyQNNXJGVOSXPZJY-FUHWJXTLSA-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

Analyze (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 6578670
(2R)-2-cyano-N-cyclopropyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 931270
2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
CID 4123187
(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 6579345
[(2R)-1-methoxypropan-2-yl] (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 98344839
(2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-cyclohexylacetamide
CID 40838073
N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 3606790
(2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]-N-(2-phenylethyl)acetamide
CID 7390748
2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]-N-prop-2-enylacetamide
CID 4295438
cyclohexyl (2S)-2-cyano-2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]quinoxalin-2-yl]acetate
CID 7183227
2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 71561049
propan-2-yl (2S)-2-cyano-2-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]acetate
CID 6583085

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide?
The IUPAC name of (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide (CID 7367775) is (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide.
What is the SMILES notation for (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide?
The canonical SMILES for (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide is C[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)C1.
What is the InChIKey of (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide?
The InChIKey is QNNXJGVOSXPZJY-FUHWJXTLSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16-8-7-13-28(15-16)22-21(26-19-11-5-6-12-20(19)27-22)18(14-24)23(29)25-17-9-3-2-4-10-17/h5-6,11-12,16-18H,2-4,7-10,13,15H2,1H3,(H,25,29)/t16-,18+/m0/s1.
What are the key properties of (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide?
(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-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 (2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 7367775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).