(1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

C16H20N4O — CID 110257138

IUPAC(1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2CCCN(C(=O)c3cnn(C)c3)C2)nc1
InChIInChI=1S/C16H20N4O/c1-12-5-6-15(17-8-12)13-4-3-7-20(11-13)16(21)14-9-18-19(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3
InChIKeyXDCCTINYOOUPJU-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.14
Rot. Bonds2

About (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (PubChem CID 110257138) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
PubChem CID110257138
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
SMILESCc1ccc(C2CCCN(C(=O)c3cnn(C)c3)C2)nc1
InChIInChI=1S/C16H20N4O/c1-12-5-6-15(17-8-12)13-4-3-7-20(11-13)16(21)14-9-18-19(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3
InChIKeyXDCCTINYOOUPJU-UHFFFAOYSA-N
XLogP2.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone (CID 110257138) is (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is Cc1ccc(C2CCCN(C(=O)c3cnn(C)c3)C2)nc1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
The InChIKey is XDCCTINYOOUPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12-5-6-15(17-8-12)13-4-3-7-20(11-13)16(21)14-9-18-19(2)10-14/h5-6,8-10,13H,3-4,7,11H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone has a molecular weight of 284.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone is sourced from PubChem (CID 110257138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).