2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid

C14H24N2O4 — CID 103497770

IUPAC2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid
SMILESCCC(=O)NC1CCN(C(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-4-12(17)15-11-5-7-16(8-6-11)13(18)9(2)10(3)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyMRLZFUJTNAOHDJ-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds5

About 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid

2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid (PubChem CID 103497770) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid
PubChem CID103497770
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid
SMILESCCC(=O)NC1CCN(C(=O)C(C)C(C)C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-4-12(17)15-11-5-7-16(8-6-11)13(18)9(2)10(3)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20)
InChIKeyMRLZFUJTNAOHDJ-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-amino-4-methylpentanoyl)piperidin-4-yl]propanamide
CID 54872159
N-[1-[2-(aminomethyl)butanoyl]piperidin-4-yl]propanamide
CID 65227339
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 71193586
N-[1-[(2R)-2-amino-2-phenylacetyl]piperidin-4-yl]propanamide
CID 61163953
N-[1-[3-(propan-2-ylamino)propanoyl]piperidin-4-yl]propanamide
CID 54872195
N-cyclohexyl-4-(propanoylamino)piperidine-1-carboxamide
CID 110820925
N-[1-[(2R)-2-aminopropanoyl]piperidin-4-yl]butanamide
CID 54996241
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820033
N-[1-[4-(propan-2-ylamino)butanoyl]piperidin-4-yl]propanamide
CID 60947455
2,3-dimethyl-4-(3-methylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 103498005
ethane;N-[4-(propanoylamino)cyclohexyl]propanamide
CID 144871719

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid (CID 103497770) is 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid is CCC(=O)NC1CCN(C(=O)C(C)C(C)C(=O)O)CC1.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid?
The InChIKey is MRLZFUJTNAOHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-4-12(17)15-11-5-7-16(8-6-11)13(18)9(2)10(3)14(19)20/h9-11H,4-8H2,1-3H3,(H,15,17)(H,19,20).
What are the key properties of 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid?
2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-[4-(propanoylamino)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 103497770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).