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

C18H18N4O — CID 60505849

IUPAC6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C18H18N4O/c1-14-2-5-16(6-3-14)18(23)22-10-8-21(9-11-22)17-7-4-15(12-19)13-20-17/h2-7,13H,8-11H2,1H3
InChIKeyNUTDUWFUTKRTIP-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.22
Rot. Bonds2

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

6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 60505849) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID60505849
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1
InChIInChI=1S/C18H18N4O/c1-14-2-5-16(6-3-14)18(23)22-10-8-21(9-11-22)17-7-4-15(12-19)13-20-17/h2-7,13H,8-11H2,1H3
InChIKeyNUTDUWFUTKRTIP-UHFFFAOYSA-N
XLogP2.22
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(4-tert-butylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 110420683
4-[4-(5-cyano-2-pyridinyl)piperazine-1-carbonyl]-N,N-dimethylbenzenesulfonamide
CID 110645062
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971599
6-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 31662337
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287
[4-(5-methyl-2-pyridinyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 59676606
6-[4-[4-(3-piperidin-1-ylpropoxy)benzoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 10025889
ethyl 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 38783932
4-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122349528
6-[4-(1-propan-2-ylpyrazole-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 136525323
6-[4-(4-methylsulfanylpyrimidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 154873773
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 60505849) is 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1.
What is the InChIKey of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is NUTDUWFUTKRTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-14-2-5-16(6-3-14)18(23)22-10-8-21(9-11-22)17-7-4-15(12-19)13-20-17/h2-7,13H,8-11H2,1H3.
What are the key properties of 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile?
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 60505849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).