5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile

C18H18N4O — CID 133291320

IUPAC5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccc(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1
InChIInChI=1S/C18H18N4O/c1-13-2-4-14(5-3-13)18(23)15-6-8-22(9-7-15)17-12-20-16(10-19)11-21-17/h2-5,11-12,15H,6-9H2,1H3
InChIKeyBEAFRFBUUOZQOW-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.76
Rot. Bonds3

About 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile

5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile (PubChem CID 133291320) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile
PubChem CID133291320
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile
SMILESCc1ccc(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1
InChIInChI=1S/C18H18N4O/c1-13-2-4-14(5-3-13)18(23)15-6-8-22(9-7-15)17-12-20-16(10-19)11-21-17/h2-5,11-12,15H,6-9H2,1H3
InChIKeyBEAFRFBUUOZQOW-UHFFFAOYSA-N
XLogP2.76
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile (CID 133291320) is 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile is Cc1ccc(C(=O)C2CCN(c3cnc(C#N)cn3)CC2)cc1.
What is the InChIKey of 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile?
The InChIKey is BEAFRFBUUOZQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-2-4-14(5-3-13)18(23)15-6-8-22(9-7-15)17-12-20-16(10-19)11-21-17/h2-5,11-12,15H,6-9H2,1H3.
What are the key properties of 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile?
5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylbenzoyl)piperidin-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 133291320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).