1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one

C16H24N4O2 — CID 110270976

IUPAC1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H24N4O2/c21-15-5-2-9-19(15)10-3-6-16(22)20-11-1-4-13(12-20)14-7-8-17-18-14/h7-8,13H,1-6,9-12H2,(H,17,18)
InChIKeyLRMJUQBBGHFTMO-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.52
Rot. Bonds5

About 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one

1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one (PubChem CID 110270976) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one
PubChem CID110270976
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCC(=O)N1CCCC(c2ccn[nH]2)C1
InChIInChI=1S/C16H24N4O2/c21-15-5-2-9-19(15)10-3-6-16(22)20-11-1-4-13(12-20)14-7-8-17-18-14/h7-8,13H,1-6,9-12H2,(H,17,18)
InChIKeyLRMJUQBBGHFTMO-UHFFFAOYSA-N
XLogP1.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]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 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one (CID 110270976) is 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one is O=C1CCCN1CCCC(=O)N1CCCC(c2ccn[nH]2)C1.
What is the InChIKey of 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one?
The InChIKey is LRMJUQBBGHFTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c21-15-5-2-9-19(15)10-3-6-16(22)20-11-1-4-13(12-20)14-7-8-17-18-14/h7-8,13H,1-6,9-12H2,(H,17,18).
What are the key properties of 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one?
1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one has a molecular weight of 304.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-oxo-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]butyl]pyrrolidin-2-one is sourced from PubChem (CID 110270976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).