N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide

C20H25N5O — CID 3606790

IUPACN-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
SMILESCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C20H25N5O/c1-2-3-11-22-20(26)15(14-21)18-19(25-12-7-4-8-13-25)24-17-10-6-5-9-16(17)23-18/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,22,26)
InChIKeyOVQIEXVCGCSBBW-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.14
Rot. Bonds6

About N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide

N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide (PubChem CID 3606790) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide.

Molecular Properties

Compound NameN-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
PubChem CID3606790
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC NameN-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
SMILESCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
InChIInChI=1S/C20H25N5O/c1-2-3-11-22-20(26)15(14-21)18-19(25-12-7-4-8-13-25)24-17-10-6-5-9-16(17)23-18/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,22,26)
InChIKeyOVQIEXVCGCSBBW-UHFFFAOYSA-N
XLogP3.14
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-hexyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetamide
CID 2999890
(2R)-N-butyl-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41031489
N-butyl-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetamide
CID 3847897
(2S)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyano-N-hexylacetamide
CID 40808095
(2R)-N-butyl-2-cyano-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoxalin-2-yl]acetamide
CID 41030750
(2R)-2-cyano-N-cyclopropyl-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide
CID 931270
2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-(thiophen-2-ylmethyl)acetamide
CID 71559907
ethyl 4-[3-[(1S)-1-cyano-2-(3-methoxypropylamino)-2-oxoethyl]quinoxalin-2-yl]piperazine-1-carboxylate
CID 41070869
ethyl 1-[3-[(1R)-1-cyano-2-(3-methoxypropylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
CID 41029517
2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-N-(3-methoxypropyl)acetamide
CID 659633
(2R)-N-benzyl-2-cyano-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetamide
CID 7367750
2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 71561049

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide?
The IUPAC name of N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide (CID 3606790) is N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide.
What is the SMILES notation for N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide?
The canonical SMILES for N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide is CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1.
What is the InChIKey of N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide?
The InChIKey is OVQIEXVCGCSBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-2-3-11-22-20(26)15(14-21)18-19(25-12-7-4-8-13-25)24-17-10-6-5-9-16(17)23-18/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,22,26).
What are the key properties of N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide?
N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide is sourced from PubChem (CID 3606790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).