5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile

C17H17N5O2 — CID 133290837

IUPAC5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cccc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)c1
InChIInChI=1S/C17H17N5O2/c1-24-15-4-2-3-13(9-15)17(23)22-7-5-21(6-8-22)16-12-19-14(10-18)11-20-16/h2-4,9,11-12H,5-8H2,1H3
InChIKeyRGWDPFJNFXFAFG-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.32
Rot. Bonds3

About 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile

5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133290837) has the molecular formula C17H17N5O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
PubChem CID133290837
Molecular FormulaC17H17N5O2
Molecular Weight323.36 g/mol
Exact Mass323.14
IUPAC Name5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
SMILESCOc1cccc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)c1
InChIInChI=1S/C17H17N5O2/c1-24-15-4-2-3-13(9-15)17(23)22-7-5-21(6-8-22)16-12-19-14(10-18)11-20-16/h2-4,9,11-12H,5-8H2,1H3
InChIKeyRGWDPFJNFXFAFG-UHFFFAOYSA-N
XLogP1.32
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 2812131
(3-methoxyphenyl)-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755288
[4-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 121038204
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
(3-methoxyphenyl)-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292475
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 36724822
(3-methoxyphenyl)-[4-(6-methyl-2-pyridinyl)-1,4-diazepan-1-yl]methanone
CID 86797191
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483
6-[4-[3-[(6-methoxy-3-oxo-2-benzofuran-1-ylidene)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 169219981

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile (CID 133290837) is 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile is COc1cccc(C(=O)N2CCN(c3cnc(C#N)cn3)CC2)c1.
What is the InChIKey of 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is RGWDPFJNFXFAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O2/c1-24-15-4-2-3-13(9-15)17(23)22-7-5-21(6-8-22)16-12-19-14(10-18)11-20-16/h2-4,9,11-12H,5-8H2,1H3.
What are the key properties of 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile?
5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 323.36 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133290837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).