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

C19H31N5O2 — CID 75467826

IUPAC3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCC(C)CCC(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C19H31N5O2/c1-15(2)6-7-18(25)23-11-9-22(10-12-23)17-5-4-8-24(19(17)26)16-13-20-21(3)14-16/h13-15,17H,4-12H2,1-3H3
InChIKeyXNDBWLNDKBBASF-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.50
Rot. Bonds5

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

3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 75467826) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID75467826
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCC(C)CCC(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1
InChIInChI=1S/C19H31N5O2/c1-15(2)6-7-18(25)23-11-9-22(10-12-23)17-5-4-8-24(19(17)26)16-13-20-21(3)14-16/h13-15,17H,4-12H2,1-3H3
InChIKeyXNDBWLNDKBBASF-UHFFFAOYSA-N
XLogP1.50
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 75467826) is 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is CC(C)CCC(=O)N1CCN(C2CCCN(c3cnn(C)c3)C2=O)CC1.
What is the InChIKey of 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is XNDBWLNDKBBASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(2)6-7-18(25)23-11-9-22(10-12-23)17-5-4-8-24(19(17)26)16-13-20-21(3)14-16/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpentanoyl)piperazin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 75467826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).