3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C17H27N5O2 — CID 75467797

IUPAC3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCC(C)C(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C17H27N5O2/c1-13(2)16(23)21-9-7-20(8-10-21)15-5-4-6-22(17(15)24)14-11-18-19(3)12-14/h11-13,15H,4-10H2,1-3H3
InChIKeyFYALEZNHKOKFAR-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.72
Rot. Bonds3

About 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 75467797) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID75467797
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCC(C)C(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C17H27N5O2/c1-13(2)16(23)21-9-7-20(8-10-21)15-5-4-6-22(17(15)24)14-11-18-19(3)12-14/h11-13,15H,4-10H2,1-3H3
InChIKeyFYALEZNHKOKFAR-UHFFFAOYSA-N
XLogP0.72
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 75467797) is 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is CC(C)C(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1.
What is the InChIKey of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is FYALEZNHKOKFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-13(2)16(23)21-9-7-20(8-10-21)15-5-4-6-22(17(15)24)14-11-18-19(3)12-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 333.44 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 75467797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).