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

C14H25NO4 — CID 65299943

IUPAC2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
SMILESCCCOC1CCCN(C(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-4-8-19-11-6-5-7-15(10-11)12(16)9-14(2,3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyXZHMHRVCXCCUBV-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.90
Rot. Bonds6

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

2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid (PubChem CID 65299943) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
PubChem CID65299943
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid
SMILESCCCOC1CCCN(C(=O)CC(C)(C)C(=O)O)C1
InChIInChI=1S/C14H25NO4/c1-4-8-19-11-6-5-7-15(10-11)12(16)9-14(2,3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyXZHMHRVCXCCUBV-UHFFFAOYSA-N
XLogP1.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxypyrrolidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 103531279
5-chloro-1-(3-propoxypiperidin-1-yl)pentan-1-one
CID 61169567
2-(butan-2-ylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 61170154
1-(3-propoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61363713
(2R)-3,3-dimethyl-2-[(3-propoxypiperidine-1-carbonyl)amino]butanoic acid
CID 103927834
2-phenylsulfanyl-1-(3-propoxypiperidin-1-yl)ethanone
CID 91786439
N-ethyl-3-propoxypiperidine-1-carboxamide
CID 115595374
(4-methylpiperidin-1-yl)-(3-propoxypiperidin-1-yl)methanone
CID 116654904
2-amino-1-(3-propoxypiperidin-1-yl)butan-1-one
CID 61169570
4-(4-methoxypiperidin-1-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65297955
2-(prop-2-enylamino)-1-(3-propoxypiperidin-1-yl)ethanone
CID 79278895
2-methoxy-1-(3-propoxypiperidin-1-yl)propan-1-one
CID 112687423

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid?
The IUPAC name of 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid (CID 65299943) is 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid?
The canonical SMILES for 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid is CCCOC1CCCN(C(=O)CC(C)(C)C(=O)O)C1.
What is the InChIKey of 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid?
The InChIKey is XZHMHRVCXCCUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-4-8-19-11-6-5-7-15(10-11)12(16)9-14(2,3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid?
2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-oxo-4-(3-propoxypiperidin-1-yl)butanoic acid is sourced from PubChem (CID 65299943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).