[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C16H26N4O2 — CID 91916169

IUPAC[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C16H26N4O2/c1-18(14-6-11-22-12-7-14)13-4-9-20(10-5-13)16(21)15-3-8-17-19(15)2/h3,8,13-14H,4-7,9-12H2,1-2H3
InChIKeyZCAJIPRYBQTJSE-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.14
Rot. Bonds3

About [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 91916169) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID91916169
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccnn2C)CC1
InChIInChI=1S/C16H26N4O2/c1-18(14-6-11-22-12-7-14)13-4-9-20(10-5-13)16(21)15-3-8-17-19(15)2/h3,8,13-14H,4-7,9-12H2,1-2H3
InChIKeyZCAJIPRYBQTJSE-UHFFFAOYSA-N
XLogP1.14
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 91916169) is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is CN(C1CCOCC1)C1CCN(C(=O)c2ccnn2C)CC1.
What is the InChIKey of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZCAJIPRYBQTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18(14-6-11-22-12-7-14)13-4-9-20(10-5-13)16(21)15-3-8-17-19(15)2/h3,8,13-14H,4-7,9-12H2,1-2H3.
What are the key properties of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 306.41 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 91916169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).