2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid

C12H22N2O4 — CID 83266074

IUPAC2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
SMILESCCC(C(=O)O)C1(O)CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H22N2O4/c1-4-9(10(15)16)12(18)5-7-14(8-6-12)11(17)13(2)3/h9,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyQIDQCOOJSZIQIW-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.61
Rot. Bonds3

About 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid

2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid (PubChem CID 83266074) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
PubChem CID83266074
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid
SMILESCCC(C(=O)O)C1(O)CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H22N2O4/c1-4-9(10(15)16)12(18)5-7-14(8-6-12)11(17)13(2)3/h9,18H,4-8H2,1-3H3,(H,15,16)
InChIKeyQIDQCOOJSZIQIW-UHFFFAOYSA-N
XLogP0.61
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83266382
2-(4-hydroxy-1-propan-2-ylazepan-4-yl)butanoic acid
CID 65076966
4-(butan-2-ylamino)-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83265484
3-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]propanoic acid
CID 83266385
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479
4-cyano-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83265091
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975
N,N-dimethyl-3-azaspiro[5.5]undecane-3-carboxamide
CID 115605545
N,N,4-trimethyl-1-propyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
CID 166115239
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
2-(1-hydroxy-3-methylcyclopentyl)butanoic acid
CID 64515511
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid?
The IUPAC name of 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid (CID 83266074) is 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid.
What is the SMILES notation for 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid?
The canonical SMILES for 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid is CCC(C(=O)O)C1(O)CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid?
The InChIKey is QIDQCOOJSZIQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-4-9(10(15)16)12(18)5-7-14(8-6-12)11(17)13(2)3/h9,18H,4-8H2,1-3H3,(H,15,16).
What are the key properties of 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid?
2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylcarbamoyl)-4-hydroxypiperidin-4-yl]butanoic acid is sourced from PubChem (CID 83266074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).