3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide

C13H25N3O2 — CID 106098557

IUPAC3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide
SMILESCC(C)NC1CCCN(C(C)(C)CC(N)=O)C1=O
InChIInChI=1S/C13H25N3O2/c1-9(2)15-10-6-5-7-16(12(10)18)13(3,4)8-11(14)17/h9-10,15H,5-8H2,1-4H3,(H2,14,17)
InChIKeyJFYGWKUGPJRLKQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds5

About 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide

3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide (PubChem CID 106098557) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide
PubChem CID106098557
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide
SMILESCC(C)NC1CCCN(C(C)(C)CC(N)=O)C1=O
InChIInChI=1S/C13H25N3O2/c1-9(2)15-10-6-5-7-16(12(10)18)13(3,4)8-11(14)17/h9-10,15H,5-8H2,1-4H3,(H2,14,17)
InChIKeyJFYGWKUGPJRLKQ-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide
CID 106098556
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
CID 114176608
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
CID 113493057
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
3-(propan-2-ylamino)-1-[1-(trifluoromethyl)cyclopropyl]piperidin-2-one
CID 106211601
1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 114171183
1-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 65118942
1-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114152232
1-(2,2-dimethylcyclopentyl)-3-(propan-2-ylamino)piperidin-2-one
CID 79877894

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide?
The IUPAC name of 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide (CID 106098557) is 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide.
What is the SMILES notation for 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide?
The canonical SMILES for 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide is CC(C)NC1CCCN(C(C)(C)CC(N)=O)C1=O.
What is the InChIKey of 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide?
The InChIKey is JFYGWKUGPJRLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-9(2)15-10-6-5-7-16(12(10)18)13(3,4)8-11(14)17/h9-10,15H,5-8H2,1-4H3,(H2,14,17).
What are the key properties of 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide?
3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]butanamide is sourced from PubChem (CID 106098557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).