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

C12H18N4O2 — CID 114185131

IUPAC3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
SMILESCc1nc(CN2CCCC(NC3CC3)C2=O)no1
InChIInChI=1S/C12H18N4O2/c1-8-13-11(15-18-8)7-16-6-2-3-10(12(16)17)14-9-4-5-9/h9-10,14H,2-7H2,1H3
InChIKeyYBCIWVUMMXAHDS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.62
Rot. Bonds4

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

3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one (PubChem CID 114185131) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
PubChem CID114185131
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
SMILESCc1nc(CN2CCCC(NC3CC3)C2=O)no1
InChIInChI=1S/C12H18N4O2/c1-8-13-11(15-18-8)7-16-6-2-3-10(12(16)17)14-9-4-5-9/h9-10,14H,2-7H2,1H3
InChIKeyYBCIWVUMMXAHDS-UHFFFAOYSA-N
XLogP0.62
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-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

Related Compounds

3-(methylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one
CID 106408287
3-(cyclopropylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-one
CID 106408298
3-(methylamino)-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-2-one
CID 114186711
3-bromo-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-one
CID 106408238
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 79238476
3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-2,5-dione
CID 114185250
3-(cyclopropylamino)-1-[(1-methylcyclobutyl)methyl]piperidin-2-one
CID 114109373
3-(cyclopropylamino)-1-[(3-ethyl-2-pyridinyl)methyl]piperidin-2-one
CID 82754849
N-methyl-1-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]methanamine
CID 61205541
3-(cyclopropylamino)-1-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]piperidin-2-one
CID 106149590
3-(ethylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-one
CID 106408300
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one?
The IUPAC name of 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one (CID 114185131) is 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one is Cc1nc(CN2CCCC(NC3CC3)C2=O)no1.
What is the InChIKey of 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one?
The InChIKey is YBCIWVUMMXAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-13-11(15-18-8)7-16-6-2-3-10(12(16)17)14-9-4-5-9/h9-10,14H,2-7H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one?
3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 114185131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).