3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one

C15H24N4O — CID 79238476

IUPAC3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
SMILESCc1nn(C)c(C)c1CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C15H24N4O/c1-10-13(11(2)18(3)17-10)9-19-8-4-5-14(15(19)20)16-12-6-7-12/h12,14,16H,4-9H2,1-3H3
InChIKeyVCPUESKOWFLDBR-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.28
Rot. Bonds4

About 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one

3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one (PubChem CID 79238476) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
PubChem CID79238476
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
SMILESCc1nn(C)c(C)c1CN1CCCC(NC2CC2)C1=O
InChIInChI=1S/C15H24N4O/c1-10-13(11(2)18(3)17-10)9-19-8-4-5-14(15(19)20)16-12-6-7-12/h12,14,16H,4-9H2,1-3H3
InChIKeyVCPUESKOWFLDBR-UHFFFAOYSA-N
XLogP1.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]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-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one (CID 79238476) is 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one is Cc1nn(C)c(C)c1CN1CCCC(NC2CC2)C1=O.
What is the InChIKey of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
The InChIKey is VCPUESKOWFLDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-10-13(11(2)18(3)17-10)9-19-8-4-5-14(15(19)20)16-12-6-7-12/h12,14,16H,4-9H2,1-3H3.
What are the key properties of 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one?
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one has a molecular weight of 276.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 79238476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).