2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

C16H27N5O — CID 71926769

IUPAC2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)CN3CCN(C)CC3)C2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-13-10-15(18-17-13)14-4-3-5-21(11-14)16(22)12-20-8-6-19(2)7-9-20/h10,14H,3-9,11-12H2,1-2H3,(H,17,18)
InChIKeyIPLYXCLJOADWLC-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.67
Rot. Bonds3

About 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone

2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (PubChem CID 71926769) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
PubChem CID71926769
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone
SMILESCc1cc(C2CCCN(C(=O)CN3CCN(C)CC3)C2)n[nH]1
InChIInChI=1S/C16H27N5O/c1-13-10-15(18-17-13)14-4-3-5-21(11-14)16(22)12-20-8-6-19(2)7-9-20/h10,14H,3-9,11-12H2,1-2H3,(H,17,18)
InChIKeyIPLYXCLJOADWLC-UHFFFAOYSA-N
XLogP0.67
TPSA55.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone (CID 71926769) is 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is Cc1cc(C2CCCN(C(=O)CN3CCN(C)CC3)C2)n[nH]1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
The InChIKey is IPLYXCLJOADWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-13-10-15(18-17-13)14-4-3-5-21(11-14)16(22)12-20-8-6-19(2)7-9-20/h10,14H,3-9,11-12H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone?
2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone has a molecular weight of 305.43 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 71926769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).