N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide

C15H27N3O3 — CID 169094211

IUPACN-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)[C@@H](CC(N)=O)C(=O)N1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-11(2)9-14(20)17(3)12(10-13(16)19)15(21)18-7-5-4-6-8-18/h11-12H,4-10H2,1-3H3,(H2,16,19)/t12-/m0/s1
InChIKeyZLCFSBKRNNKQHO-LBPRGKRZSA-N
MW297.40 g/mol
LogP0.75
Rot. Bonds6

About N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide

N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide (PubChem CID 169094211) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide
PubChem CID169094211
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide
SMILESCC(C)CC(=O)N(C)[C@@H](CC(N)=O)C(=O)N1CCCCC1
InChIInChI=1S/C15H27N3O3/c1-11(2)9-14(20)17(3)12(10-13(16)19)15(21)18-7-5-4-6-8-18/h11-12H,4-10H2,1-3H3,(H2,16,19)/t12-/m0/s1
InChIKeyZLCFSBKRNNKQHO-LBPRGKRZSA-N
XLogP0.75
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide with MolForge

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Related Compounds

azane;cyclopropane;(2S)-N,2-dimethyl-N-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]butanediamide;(3S)-3-methyl-4-[methyl-[(2S)-1-[methyl-[(2S,5R)-5-methyl-3,6-dioxo-1-phenyl-6-piperidin-1-ylhexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 162244898
N-methyl-N-(1-methylsulfanylpropan-2-yl)azepane-1-carboxamide
CID 116657585
3-ethyl-1-methyl-1-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]urea
CID 68710672
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
N-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115578834
N-(1-aminopropan-2-yl)-N-methylazepane-1-carboxamide
CID 79152627
N,N-dimethyl-2-[methyl-(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]acetamide
CID 78809290
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]-1-piperidin-1-ylpropan-1-one
CID 113476280
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide?
The IUPAC name of N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide (CID 169094211) is N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide?
The canonical SMILES for N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide is CC(C)CC(=O)N(C)[C@@H](CC(N)=O)C(=O)N1CCCCC1.
What is the InChIKey of N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide?
The InChIKey is ZLCFSBKRNNKQHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(2)9-14(20)17(3)12(10-13(16)19)15(21)18-7-5-4-6-8-18/h11-12H,4-10H2,1-3H3,(H2,16,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide?
N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide has a molecular weight of 297.40 g/mol, XLogP of 0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-amino-1,4-dioxo-1-piperidin-1-ylbutan-2-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 169094211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).