6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile

C19H20N4O3 — CID 31662337

IUPAC6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC
InChIInChI=1S/C19H20N4O3/c1-25-16-5-4-15(11-17(16)26-2)19(24)23-9-7-22(8-10-23)18-6-3-14(12-20)13-21-18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyHWFCLGNLXFDWMU-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.93
Rot. Bonds4

About 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 31662337) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID31662337
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC
InChIInChI=1S/C19H20N4O3/c1-25-16-5-4-15(11-17(16)26-2)19(24)23-9-7-22(8-10-23)18-6-3-14(12-20)13-21-18/h3-6,11,13H,7-10H2,1-2H3
InChIKeyHWFCLGNLXFDWMU-UHFFFAOYSA-N
XLogP1.93
TPSA78.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]benzonitrile
CID 113081043
6-[4-[4-methoxy-3-(2-pyridin-2-ylethynyl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 69003377
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849
6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
6-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 94985371
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748559
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748322
6-[4-[3-(2-methoxyphenyl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 110420719
[4-(2-tert-butylpyrimidin-4-yl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 133334317
4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396612

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 31662337) is 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is COc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1OC.
What is the InChIKey of 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is HWFCLGNLXFDWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-16-5-4-15(11-17(16)26-2)19(24)23-9-7-22(8-10-23)18-6-3-14(12-20)13-21-18/h3-6,11,13H,7-10H2,1-2H3.
What are the key properties of 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 352.39 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 31662337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).