3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid

C14H26N2O3 — CID 62216161

IUPAC3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
SMILESCN(C)C(=O)CCCN1CCCCC1CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-15(2)13(17)7-5-11-16-10-4-3-6-12(16)8-9-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyLKXWBFYVYRFTDJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.57
Rot. Bonds7

About 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid

3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid (PubChem CID 62216161) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
PubChem CID62216161
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid
SMILESCN(C)C(=O)CCCN1CCCCC1CCC(=O)O
InChIInChI=1S/C14H26N2O3/c1-15(2)13(17)7-5-11-16-10-4-3-6-12(16)8-9-14(18)19/h12H,3-11H2,1-2H3,(H,18,19)
InChIKeyLKXWBFYVYRFTDJ-UHFFFAOYSA-N
XLogP1.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]propanoic acid
CID 113326572
3-[1-(2-tert-butylsulfonylethyl)piperidin-2-yl]propanoic acid
CID 106727487
4-[2-(3-hydroxypropyl)pyrrolidin-1-yl]butanoic acid
CID 62466874
3-[2-(2-hydroxypropyl)piperidin-1-yl]-N,N-dimethylpropanamide
CID 114337979
3-[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 29295033
3-[1-(3-methylbut-2-enyl)piperidin-2-yl]propanoic acid
CID 62218206
3-[2-(3-methylbutyl)piperidin-1-yl]propanoic acid
CID 119994332
2-[4-[4-(dimethylamino)-4-oxobutyl]thiomorpholin-3-yl]acetic acid
CID 66444935
2-[1-[4-(diethylamino)-4-oxobutyl]pyrrolidin-2-yl]acetic acid
CID 61371702
4-(2-aminopiperidin-1-yl)butanoic acid
CID 77220070
N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide
CID 79541365
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid (CID 62216161) is 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid is CN(C)C(=O)CCCN1CCCCC1CCC(=O)O.
What is the InChIKey of 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid?
The InChIKey is LKXWBFYVYRFTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-15(2)13(17)7-5-11-16-10-4-3-6-12(16)8-9-14(18)19/h12H,3-11H2,1-2H3,(H,18,19).
What are the key properties of 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid?
3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(dimethylamino)-4-oxobutyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62216161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).