4-acetylpiperidine-1-carboxylic acid

C8H13NO3 — CID 22135578

IUPAC4-acetylpiperidine-1-carboxylic acid
SMILESCC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-6(10)7-2-4-9(5-3-7)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyMNWZWHOJSQZVGO-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.97
Rot. Bonds1

About 4-acetylpiperidine-1-carboxylic acid

4-acetylpiperidine-1-carboxylic acid (PubChem CID 22135578) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-acetylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-acetylpiperidine-1-carboxylic acid
PubChem CID22135578
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-acetylpiperidine-1-carboxylic acid
SMILESCC(=O)C1CCN(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-6(10)7-2-4-9(5-3-7)8(11)12/h7H,2-5H2,1H3,(H,11,12)
InChIKeyMNWZWHOJSQZVGO-UHFFFAOYSA-N
XLogP0.97
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

piperidine-1,4-dicarboxylic acid
CID 18542445
1-(1-methylpiperidin-4-yl)ethanone;hydrochloride
CID 86346241
pyrrolidine-1,3-dicarboxylic acid
CID 22258620
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
4-ethoxycarbonylpiperidine-1-carboxylic acid
CID 21189657
4-acetylsulfanylpiperidine-1-carboxylic acid
CID 23448271
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948
4-aminooxycarbonylpiperidine-1-carboxylic acid
CID 150077485
4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
4-(1-methylpiperidine-4-carbonyl)piperazine-1-carboxylic acid
CID 69084155
1-(1-hydroxypiperidin-4-yl)ethanone;methane;molecular hydrogen
CID 143814037

Frequently Asked Questions

What is the IUPAC name of 4-acetylpiperidine-1-carboxylic acid?
The IUPAC name of 4-acetylpiperidine-1-carboxylic acid (CID 22135578) is 4-acetylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-acetylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-acetylpiperidine-1-carboxylic acid is CC(=O)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-acetylpiperidine-1-carboxylic acid?
The InChIKey is MNWZWHOJSQZVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)7-2-4-9(5-3-7)8(11)12/h7H,2-5H2,1H3,(H,11,12).
What are the key properties of 4-acetylpiperidine-1-carboxylic acid?
4-acetylpiperidine-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22135578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).