[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C15H24N4O2 — CID 110876262

IUPAC[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C15H24N4O2/c1-18(13-5-10-21-11-6-13)12-3-8-19(9-4-12)15(20)14-2-7-16-17-14/h2,7,12-13H,3-6,8-11H2,1H3,(H,16,17)
InChIKeyHCDBFIHRJPKTCP-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.13
Rot. Bonds3

About [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110876262) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110876262
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C1CCOCC1)C1CCN(C(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C15H24N4O2/c1-18(13-5-10-21-11-6-13)12-3-8-19(9-4-12)15(20)14-2-7-16-17-14/h2,7,12-13H,3-6,8-11H2,1H3,(H,16,17)
InChIKeyHCDBFIHRJPKTCP-UHFFFAOYSA-N
XLogP1.13
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110876262) is [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CN(C1CCOCC1)C1CCN(C(=O)c2ccn[nH]2)CC1.
What is the InChIKey of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is HCDBFIHRJPKTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18(13-5-10-21-11-6-13)12-3-8-19(9-4-12)15(20)14-2-7-16-17-14/h2,7,12-13H,3-6,8-11H2,1H3,(H,16,17).
What are the key properties of [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 292.38 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(oxan-4-yl)amino]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110876262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).