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1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone

C16H26N4O2 — CID 138004381

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
SMILESCn1nccc1C1CCCCN1C(=O)COC1CCNCC1
InChIInChI=1S/C16H26N4O2/c1-19-14(7-10-18-19)15-4-2-3-11-20(15)16(21)12-22-13-5-8-17-9-6-13/h7,10,13,15,17H,2-6,8-9,11-12H2,1H3
InChIKeyAOFSFPIRYYCLDV-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.24
Rot. Bonds4

About 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone

1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone (PubChem CID 138004381) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
PubChem CID138004381
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone
SMILESCn1nccc1C1CCCCN1C(=O)COC1CCNCC1
InChIInChI=1S/C16H26N4O2/c1-19-14(7-10-18-19)15-4-2-3-11-20(15)16(21)12-22-13-5-8-17-9-6-13/h7,10,13,15,17H,2-6,8-9,11-12H2,1H3
InChIKeyAOFSFPIRYYCLDV-UHFFFAOYSA-N
XLogP1.24
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone (CID 138004381) is 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone is Cn1nccc1C1CCCCN1C(=O)COC1CCNCC1.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
The InChIKey is AOFSFPIRYYCLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-19-14(7-10-18-19)15-4-2-3-11-20(15)16(21)12-22-13-5-8-17-9-6-13/h7,10,13,15,17H,2-6,8-9,11-12H2,1H3.
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone?
1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone has a molecular weight of 306.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)piperidin-1-yl]-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 138004381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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