4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide

C22H23N5O2 — CID 6482931

IUPAC4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc(N2CCN(c3cncc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-19-8-6-18(7-9-19)26-10-12-27(13-11-26)21-15-24-14-20(25-21)16-2-4-17(5-3-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28)
InChIKeyLMBVUVXRPONWBX-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.58
Rot. Bonds5

About 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide

4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide (PubChem CID 6482931) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
PubChem CID6482931
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc(N2CCN(c3cncc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1
InChIInChI=1S/C22H23N5O2/c1-29-19-8-6-18(7-9-19)26-10-12-27(13-11-26)21-15-24-14-20(25-21)16-2-4-17(5-3-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28)
InChIKeyLMBVUVXRPONWBX-UHFFFAOYSA-N
XLogP2.58
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyphenyl)-6-[4-(4-methylphenyl)piperazin-1-yl]pyrazine
CID 6482907
6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
4-(4-fluorophenyl)-1-[6-(4-methoxyphenyl)pyrazin-2-yl]piperidin-4-ol
CID 155263820
2-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-6-naphthalen-2-ylpyrazine
CID 6482650
2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]phenyl]-3H-benzimidazole-5-carboxamide
CID 10113332
4-[4-(6-methoxy-3-methylquinolin-2-yl)piperazin-1-yl]benzamide
CID 75442529
3-(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 15906060
ethyl 6-[4-(4-carbamoylphenyl)piperazin-1-yl]pyridine-3-carboxylate
CID 133307554
2-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazine
CID 4780942
4-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]benzoic acid
CID 163271924
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
[4-(4-methoxyphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 1244092

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide (CID 6482931) is 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide is COc1ccc(N2CCN(c3cncc(-c4ccc(C(N)=O)cc4)n3)CC2)cc1.
What is the InChIKey of 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is LMBVUVXRPONWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-29-19-8-6-18(7-9-19)26-10-12-27(13-11-26)21-15-24-14-20(25-21)16-2-4-17(5-3-16)22(23)28/h2-9,14-15H,10-13H2,1H3,(H2,23,28).
What are the key properties of 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide?
4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 389.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 6482931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).