1-acetyl-4-propylpiperidine-4-carboxylic acid

C11H19NO3 — CID 63125183

IUPAC1-acetyl-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)=O)CC1
InChIInChI=1S/C11H19NO3/c1-3-4-11(10(14)15)5-7-12(8-6-11)9(2)13/h3-8H2,1-2H3,(H,14,15)
InChIKeyUNOZFXWSNHZLEW-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.50
Rot. Bonds3

About 1-acetyl-4-propylpiperidine-4-carboxylic acid

1-acetyl-4-propylpiperidine-4-carboxylic acid (PubChem CID 63125183) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-acetyl-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-propylpiperidine-4-carboxylic acid
PubChem CID63125183
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-acetyl-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(C)=O)CC1
InChIInChI=1S/C11H19NO3/c1-3-4-11(10(14)15)5-7-12(8-6-11)9(2)13/h3-8H2,1-2H3,(H,14,15)
InChIKeyUNOZFXWSNHZLEW-UHFFFAOYSA-N
XLogP1.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-propylpiperidine-1,4-dicarboxylic acid
CID 91190681
4-propyl-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 63126397
1-acetyl-3-propylpiperidine-3-carboxylic acid
CID 63134362
1-hexanoyl-4-propylpiperidine-4-carboxylic acid
CID 55178926
1-acetyl-4-(7-hydroxyheptyl)piperidine-4-carboxylic acid
CID 146658373
1-(tert-butylcarbamoyl)-4-propylpiperidine-4-carboxylic acid
CID 63125699
1-(2-methylprop-2-enyl)-4-propylpiperidine-4-carboxylic acid
CID 63126976
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
1-(2-propan-2-ylsulfanylacetyl)-4-propylpiperidine-4-carboxylic acid
CID 63125609
1-[2-(propan-2-ylamino)acetyl]-4-propylpiperidine-4-carboxylic acid
CID 63125470
1-propylcyclooctane-1-carboxylic acid
CID 80611944
1-(3-methylpiperidine-1-carbonyl)-4-propylpiperidine-4-carboxylic acid
CID 63126194

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-propylpiperidine-4-carboxylic acid (CID 63125183) is 1-acetyl-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-4-propylpiperidine-4-carboxylic acid?
The InChIKey is UNOZFXWSNHZLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-4-11(10(14)15)5-7-12(8-6-11)9(2)13/h3-8H2,1-2H3,(H,14,15).
What are the key properties of 1-acetyl-4-propylpiperidine-4-carboxylic acid?
1-acetyl-4-propylpiperidine-4-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63125183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).