(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide

C22H22N6O — CID 135348739

IUPAC(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/Nc2ccccc2N=C1N1CCNCC1
InChIInChI=1S/C22H22N6O/c23-14-17(22(29)25-15-16-6-2-1-3-7-16)20-21(28-12-10-24-11-13-28)27-19-9-5-4-8-18(19)26-20/h1-9,24,26H,10-13,15H2,(H,25,29)/b20-17-
InChIKeySRCBRVUCWJLKBK-JZJYNLBNSA-N
MW386.46 g/mol
LogP2.14
Rot. Bonds3

About (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide

(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide (PubChem CID 135348739) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide
PubChem CID135348739
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide
SMILESN#C/C(C(=O)NCc1ccccc1)=C1/Nc2ccccc2N=C1N1CCNCC1
InChIInChI=1S/C22H22N6O/c23-14-17(22(29)25-15-16-6-2-1-3-7-16)20-21(28-12-10-24-11-13-28)27-19-9-5-4-8-18(19)26-20/h1-9,24,26H,10-13,15H2,(H,25,29)/b20-17-
InChIKeySRCBRVUCWJLKBK-JZJYNLBNSA-N
XLogP2.14
TPSA92.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2Z)-N-benzyl-2-(3-chloro-1H-quinoxalin-2-ylidene)-2-cyanoacetamide
CID 135348773
cycloheptylmethyl (2Z)-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetate
CID 135348638
methyl (2Z)-2-cyano-2-(3-piperidin-1-yl-1H-quinoxalin-2-ylidene)acetate
CID 134103035
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CID 177428562
N-benzyl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43144985
N-benzyl-N'-(piperidine-4-carbonyl)oxamide
CID 108508974
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CID 107653368
(Z)-N-benzyl-2-cyanobut-2-enamide;ethane
CID 156894406
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CID 67840001
(Z)-N-benzyl-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]prop-2-enamide
CID 98369519
N-benzyl-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;dihydrochloride
CID 155971749

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide (CID 135348739) is (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide is N#C/C(C(=O)NCc1ccccc1)=C1/Nc2ccccc2N=C1N1CCNCC1.
What is the InChIKey of (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide?
The InChIKey is SRCBRVUCWJLKBK-JZJYNLBNSA-N. The full InChI is InChI=1S/C22H22N6O/c23-14-17(22(29)25-15-16-6-2-1-3-7-16)20-21(28-12-10-24-11-13-28)27-19-9-5-4-8-18(19)26-20/h1-9,24,26H,10-13,15H2,(H,25,29)/b20-17-.
What are the key properties of (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide?
(2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide has a molecular weight of 386.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-benzyl-2-cyano-2-(3-piperazin-1-yl-1H-quinoxalin-2-ylidene)acetamide is sourced from PubChem (CID 135348739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).