2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile

C23H23N5O3 — CID 78824020

IUPAC2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile
SMILESCOc1ccc(C(C#N)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1
InChIInChI=1S/C23H23N5O3/c1-31-18-8-6-17(7-9-18)21(14-24)26-10-12-27(13-11-26)23(30)16-28-20-5-3-2-4-19(20)25-15-22(28)29/h2-9,15,21H,10-13,16H2,1H3
InChIKeyHMWXQQMVZCKOOE-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.81
Rot. Bonds5

About 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile

2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile (PubChem CID 78824020) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile
PubChem CID78824020
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile
SMILESCOc1ccc(C(C#N)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1
InChIInChI=1S/C23H23N5O3/c1-31-18-8-6-17(7-9-18)21(14-24)26-10-12-27(13-11-26)23(30)16-28-20-5-3-2-4-19(20)25-15-22(28)29/h2-9,15,21H,10-13,16H2,1H3
InChIKeyHMWXQQMVZCKOOE-UHFFFAOYSA-N
XLogP1.81
TPSA91.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile with MolForge

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Related Compounds

2-(4-ethylphenyl)-2-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]acetonitrile
CID 110350372
1-(2-morpholin-4-yl-2-oxoethyl)quinoxalin-2-one
CID 8892399
2-[4-[cyano-(4-methoxyphenyl)methyl]piperazin-1-yl]-2-(4-methoxyphenyl)acetonitrile
CID 3126730
1-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 8851893
N-butan-2-yl-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 55563997
4-[cyano-(4-methoxyphenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 110349977
1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 56816771
1-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]quinoxalin-2-one
CID 17425744
2-(4-ethoxyphenyl)-2-[4-(4-methoxybenzoyl)piperazin-1-yl]acetonitrile
CID 110350465
2-(3-methoxyphenyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetonitrile
CID 110349895
2-(4-fluorophenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]acetonitrile
CID 112810418
1-[2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 32529717

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile?
The IUPAC name of 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile (CID 78824020) is 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile is COc1ccc(C(C#N)N2CCN(C(=O)Cn3c(=O)cnc4ccccc43)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile?
The InChIKey is HMWXQQMVZCKOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-31-18-8-6-17(7-9-18)21(14-24)26-10-12-27(13-11-26)23(30)16-28-20-5-3-2-4-19(20)25-15-22(28)29/h2-9,15,21H,10-13,16H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile?
2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile has a molecular weight of 417.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[4-[2-(2-oxoquinoxalin-1-yl)acetyl]piperazin-1-yl]acetonitrile is sourced from PubChem (CID 78824020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).