1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one

C14H20N4O2 — CID 99948671

IUPAC1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C14H20N4O2/c19-13-4-2-5-17(13)9-11-3-1-6-18(10-11)14(20)12-7-15-16-8-12/h7-8,11H,1-6,9-10H2,(H,15,16)/t11-/m1/s1
InChIKeyWVMCWTQFRILMRV-LLVKDONJSA-N
MW276.34 g/mol
LogP0.88
Rot. Bonds3

About 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one

1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one (PubChem CID 99948671) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
PubChem CID99948671
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1
InChIInChI=1S/C14H20N4O2/c19-13-4-2-5-17(13)9-11-3-1-6-18(10-11)14(20)12-7-15-16-8-12/h7-8,11H,1-6,9-10H2,(H,15,16)/t11-/m1/s1
InChIKeyWVMCWTQFRILMRV-LLVKDONJSA-N
XLogP0.88
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]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-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one (CID 99948671) is 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one is O=C1CCCN1C[C@H]1CCCN(C(=O)c2cn[nH]c2)C1.
What is the InChIKey of 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
The InChIKey is WVMCWTQFRILMRV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-4-2-5-17(13)9-11-3-1-6-18(10-11)14(20)12-7-15-16-8-12/h7-8,11H,1-6,9-10H2,(H,15,16)/t11-/m1/s1.
What are the key properties of 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one?
1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 99948671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).