[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

C21H30N6O — CID 133283095

IUPAC[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)n(-c2cncc(N3CCC(C(=O)N4CCCC(C)C4)CC3)n2)n1
InChIInChI=1S/C21H30N6O/c1-15-5-4-8-26(14-15)21(28)18-6-9-25(10-7-18)19-12-22-13-20(23-19)27-17(3)11-16(2)24-27/h11-13,15,18H,4-10,14H2,1-3H3
InChIKeyKFSNMXCMLNRHCG-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.75
Rot. Bonds3

About [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone

[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 133283095) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID133283095
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC Name[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCc1cc(C)n(-c2cncc(N3CCC(C(=O)N4CCCC(C)C4)CC3)n2)n1
InChIInChI=1S/C21H30N6O/c1-15-5-4-8-26(14-15)21(28)18-6-9-25(10-7-18)19-12-22-13-20(23-19)27-17(3)11-16(2)24-27/h11-13,15,18H,4-10,14H2,1-3H3
InChIKeyKFSNMXCMLNRHCG-UHFFFAOYSA-N
XLogP2.75
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 133283095) is [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is Cc1cc(C)n(-c2cncc(N3CCC(C(=O)N4CCCC(C)C4)CC3)n2)n1.
What is the InChIKey of [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is KFSNMXCMLNRHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-15-5-4-8-26(14-15)21(28)18-6-9-25(10-7-18)19-12-22-13-20(23-19)27-17(3)11-16(2)24-27/h11-13,15,18H,4-10,14H2,1-3H3.
What are the key properties of [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 382.51 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 133283095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).