2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

C16H28N2O3 — CID 103497901

IUPAC2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(13(2)16(20)21)15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h12-14H,3-11H2,1-2H3,(H,20,21)
InChIKeyVSXNRAGPRPEOKS-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.82
Rot. Bonds4

About 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid

2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (PubChem CID 103497901) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
PubChem CID103497901
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid
SMILESCC(C(=O)O)C(C)C(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-12(13(2)16(20)21)15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h12-14H,3-11H2,1-2H3,(H,20,21)
InChIKeyVSXNRAGPRPEOKS-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one
CID 61041479
(2R)-2-(4-piperidin-1-ylpiperidin-1-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 1439732
4-piperidin-1-yl-N-propan-2-ylpiperidine-1-carboxamide
CID 115582950
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
(2R)-2-amino-3,3-dimethyl-1-(4-piperidin-1-ylpiperidin-1-yl)butan-1-one
CID 103929400
2-(4-pyrrolidin-1-ylpiperidin-1-yl)propanoic acid
CID 121201886
2,3-dimethyl-4-(3-methylpyrrolidin-1-yl)-4-oxobutanoic acid
CID 103498005
(2R)-2-amino-4-methyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)pentan-1-one
CID 93469877
(2R)-2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 78925476
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
N'-hydroxy-2-(4-piperidin-1-ylpiperidine-1-carbonyl)butanimidamide
CID 76925224
3-amino-4-oxo-4-(4-pyrrolidin-1-ylpiperidin-1-yl)butanoic acid
CID 64895343

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid (CID 103497901) is 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is CC(C(=O)O)C(C)C(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
The InChIKey is VSXNRAGPRPEOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(13(2)16(20)21)15(19)18-10-6-14(7-11-18)17-8-4-3-5-9-17/h12-14H,3-11H2,1-2H3,(H,20,21).
What are the key properties of 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid?
2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid has a molecular weight of 296.41 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 103497901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).