(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide

C27H29FN6O — CID 6579345

IUPAC(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
SMILESN#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H29FN6O/c28-21-10-4-7-13-24(21)33-14-16-34(17-15-33)26-25(31-22-11-5-6-12-23(22)32-26)20(18-29)27(35)30-19-8-2-1-3-9-19/h4-7,10-13,19-20H,1-3,8-9,14-17H2,(H,30,35)/t20-/m1/s1
InChIKeyDQEIFNHDVVRBHQ-HXUWFJFHSA-N
MW472.57 g/mol
LogP4.15
Rot. Bonds5

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

(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide (PubChem CID 6579345) has the molecular formula C27H29FN6O and a molecular weight of 472.57 g/mol. Its IUPAC name is (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
PubChem CID6579345
Molecular FormulaC27H29FN6O
Molecular Weight472.57 g/mol
Exact Mass472.24
IUPAC Name(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
SMILESN#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C27H29FN6O/c28-21-10-4-7-13-24(21)33-14-16-34(17-15-33)26-25(31-22-11-5-6-12-23(22)32-26)20(18-29)27(35)30-19-8-2-1-3-9-19/h4-7,10-13,19-20H,1-3,8-9,14-17H2,(H,30,35)/t20-/m1/s1
InChIKeyDQEIFNHDVVRBHQ-HXUWFJFHSA-N
XLogP4.15
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-cyano-N-cyclopropyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 931270
(2S)-2-cyano-N-cyclohexyl-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide
CID 7367775
(2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-cyclohexylacetamide
CID 40838073
2-cyano-N-cyclopropyl-2-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]acetamide
CID 4123187
cyclohexyl 2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetate;ethane
CID 142447194
cyclohexyl (2S)-2-cyano-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetate
CID 7182385
N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 3606790
(2R)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41031489
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
2-cyano-N-hexyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 2999890
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
CID 7367750
2-cyano-2-[3-(4-methylpiperidin-1-yl)quinoxalin-2-yl]-N-prop-2-enylacetamide
CID 4295438

Frequently Asked Questions

What is the IUPAC name of (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
The IUPAC name of (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide (CID 6579345) is (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide.
What is the SMILES notation for (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
The canonical SMILES for (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide is N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1.
What is the InChIKey of (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
The InChIKey is DQEIFNHDVVRBHQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H29FN6O/c28-21-10-4-7-13-24(21)33-14-16-34(17-15-33)26-25(31-22-11-5-6-12-23(22)32-26)20(18-29)27(35)30-19-8-2-1-3-9-19/h4-7,10-13,19-20H,1-3,8-9,14-17H2,(H,30,35)/t20-/m1/s1.
What are the key properties of (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide?
(2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide has a molecular weight of 472.57 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide is sourced from PubChem (CID 6579345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).