4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

C17H26N4O2 — CID 71830384

IUPAC4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12(2)21-11-15(9-18-21)20-10-14(8-16(20)22)17(23)19-6-4-13(3)5-7-19/h9,11-14H,4-8,10H2,1-3H3
InChIKeyHVLIPWMJFGDYNN-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.08
Rot. Bonds3

About 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one

4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 71830384) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID71830384
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
SMILESCC1CCN(C(=O)C2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1
InChIInChI=1S/C17H26N4O2/c1-12(2)21-11-15(9-18-21)20-10-14(8-16(20)22)17(23)19-6-4-13(3)5-7-19/h9,11-14H,4-8,10H2,1-3H3
InChIKeyHVLIPWMJFGDYNN-UHFFFAOYSA-N
XLogP2.08
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-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 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one (CID 71830384) is 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is CC1CCN(C(=O)C2CC(=O)N(c3cnn(C(C)C)c3)C2)CC1.
What is the InChIKey of 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is HVLIPWMJFGDYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12(2)21-11-15(9-18-21)20-10-14(8-16(20)22)17(23)19-6-4-13(3)5-7-19/h9,11-14H,4-8,10H2,1-3H3.
What are the key properties of 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one?
4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 71830384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).