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

C13H25N3O2 — CID 106098556

IUPAC3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide
SMILESCCCNC1CCCN(C(C)(C)CC(N)=O)C1=O
InChIInChI=1S/C13H25N3O2/c1-4-7-15-10-6-5-8-16(12(10)18)13(2,3)9-11(14)17/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyZGWSYFWKSCCUIQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.63
Rot. Bonds6

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

3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide (PubChem CID 106098556) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide
PubChem CID106098556
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide
SMILESCCCNC1CCCN(C(C)(C)CC(N)=O)C1=O
InChIInChI=1S/C13H25N3O2/c1-4-7-15-10-6-5-8-16(12(10)18)13(2,3)9-11(14)17/h10,15H,4-9H2,1-3H3,(H2,14,17)
InChIKeyZGWSYFWKSCCUIQ-UHFFFAOYSA-N
XLogP0.63
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-(propan-2-ylamino)piperidin-1-yl]butanamide
CID 106098557
1-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(propylamino)piperidin-2-one
CID 106357929
1-but-3-yn-2-yl-3-(propylamino)piperidin-2-one
CID 114420361
1-(2,2-difluoroethyl)-3-(propylamino)piperidin-2-one
CID 115408790
1-(1-hydroxy-3-methylbutan-2-yl)-3-(propylamino)piperidin-2-one
CID 79267296
1-(4-methylsulfanylbutyl)-3-(propylamino)piperidin-2-one
CID 113488293
1-[(1-methylcyclopentyl)methyl]-3-(propylamino)pyrrolidin-2-one
CID 55261019
1-(cyclohexylmethyl)-3-(propylamino)pyrrolidin-2-one
CID 54972766
1-(5-hydroxy-4-methylpentyl)-3-(propylamino)piperidin-2-one
CID 114152228
1-(3-ethylcyclohexyl)-3-(propylamino)piperidin-2-one
CID 64747797
1-(1-methylsulfonylpropan-2-yl)-3-(propylamino)piperidin-2-one
CID 64641741
3-(propylamino)-1-(2,2,3-trimethylbutyl)pyrrolidin-2-one
CID 114100312

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide?
The IUPAC name of 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide (CID 106098556) is 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide.
What is the SMILES notation for 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide?
The canonical SMILES for 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide is CCCNC1CCCN(C(C)(C)CC(N)=O)C1=O.
What is the InChIKey of 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide?
The InChIKey is ZGWSYFWKSCCUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-7-15-10-6-5-8-16(12(10)18)13(2,3)9-11(14)17/h10,15H,4-9H2,1-3H3,(H2,14,17).
What are the key properties of 3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide?
3-methyl-3-[2-oxo-3-(propylamino)piperidin-1-yl]butanamide has a molecular weight of 255.36 g/mol, XLogP of 0.63, 6 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-(propylamino)piperidin-1-yl]butanamide is sourced from PubChem (CID 106098556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).