6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile

C19H20N4O3 — CID 34010287

IUPAC6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C19H20N4O3/c1-25-16-9-15(10-17(11-16)26-2)19(24)23-7-5-22(6-8-23)18-4-3-14(12-20)13-21-18/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyPZEFNEPYDLHCHE-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.93
Rot. Bonds4

About 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile

6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 34010287) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID34010287
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCOc1cc(OC)cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1
InChIInChI=1S/C19H20N4O3/c1-25-16-9-15(10-17(11-16)26-2)19(24)23-7-5-22(6-8-23)18-4-3-14(12-20)13-21-18/h3-4,9-11,13H,5-8H2,1-2H3
InChIKeyPZEFNEPYDLHCHE-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-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
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
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 7292437
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
6-[4-[3-[(6-methoxy-3-oxo-2-benzofuran-1-ylidene)methyl]benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 169219981
6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110645070
6-[4-[4-methoxy-3-(2-pyridin-2-ylethynyl)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 69003377
6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 10025889
2-[3-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]phenoxy]ethylcarbamic acid
CID 146484137
5-[4-(3-methoxybenzoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290837

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 34010287) is 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is COc1cc(OC)cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1.
What is the InChIKey of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is PZEFNEPYDLHCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-25-16-9-15(10-17(11-16)26-2)19(24)23-7-5-22(6-8-23)18-4-3-14(12-20)13-21-18/h3-4,9-11,13H,5-8H2,1-2H3.
What are the key properties of 6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(3,5-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-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 34010287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).