(5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C16H21N5O — CID 56779002

IUPAC(5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H21N5O/c1-12-7-19-20(10-12)11-14-5-3-4-6-21(14)16(22)15-9-17-13(2)8-18-15/h7-10,14H,3-6,11H2,1-2H3
InChIKeyRZBAPBMBYMIPKZ-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.98
Rot. Bonds3

About (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779002) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779002
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name(5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2cnc(C)cn2)c1
InChIInChI=1S/C16H21N5O/c1-12-7-19-20(10-12)11-14-5-3-4-6-21(14)16(22)15-9-17-13(2)8-18-15/h7-10,14H,3-6,11H2,1-2H3
InChIKeyRZBAPBMBYMIPKZ-UHFFFAOYSA-N
XLogP1.98
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779002) is (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2cnc(C)cn2)c1.
What is the InChIKey of (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is RZBAPBMBYMIPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-7-19-20(10-12)11-14-5-3-4-6-21(14)16(22)15-9-17-13(2)8-18-15/h7-10,14H,3-6,11H2,1-2H3.
What are the key properties of (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 299.38 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).