1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one

C17H25N5O3 — CID 136564463

IUPAC1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(c3cnn(C)c3)C2)C(C)(C)C1=O
InChIInChI=1S/C17H25N5O3/c1-17(2)16(25)19(3)7-8-22(17)15(24)12-5-6-14(23)21(10-12)13-9-18-20(4)11-13/h9,11-12H,5-8,10H2,1-4H3
InChIKeyKXILFTBHQIYFOD-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.24
Rot. Bonds2

About 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one

1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one (PubChem CID 136564463) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
PubChem CID136564463
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one
SMILESCN1CCN(C(=O)C2CCC(=O)N(c3cnn(C)c3)C2)C(C)(C)C1=O
InChIInChI=1S/C17H25N5O3/c1-17(2)16(25)19(3)7-8-22(17)15(24)12-5-6-14(23)21(10-12)13-9-18-20(4)11-13/h9,11-12H,5-8,10H2,1-4H3
InChIKeyKXILFTBHQIYFOD-UHFFFAOYSA-N
XLogP0.24
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The IUPAC name of 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one (CID 136564463) is 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one.
What is the SMILES notation for 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The canonical SMILES for 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one is CN1CCN(C(=O)C2CCC(=O)N(c3cnn(C)c3)C2)C(C)(C)C1=O.
What is the InChIKey of 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one?
The InChIKey is KXILFTBHQIYFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-17(2)16(25)19(3)7-8-22(17)15(24)12-5-6-14(23)21(10-12)13-9-18-20(4)11-13/h9,11-12H,5-8,10H2,1-4H3.
What are the key properties of 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one?
1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one has a molecular weight of 347.42 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-4-[1-(1-methylpyrazol-4-yl)-6-oxopiperidine-3-carbonyl]piperazin-2-one is sourced from PubChem (CID 136564463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).