1-acetyl-4-carbamoylpiperidine-4-carboxylic acid

C9H14N2O4 — CID 118207938

IUPAC1-acetyl-4-carbamoylpiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(N)=O)(C(=O)O)CC1
InChIInChI=1S/C9H14N2O4/c1-6(12)11-4-2-9(3-5-11,7(10)13)8(14)15/h2-5H2,1H3,(H2,10,13)(H,14,15)
InChIKeyUUCYUUAHOXJFHD-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.81
Rot. Bonds2

About 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid

1-acetyl-4-carbamoylpiperidine-4-carboxylic acid (PubChem CID 118207938) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-carbamoylpiperidine-4-carboxylic acid
PubChem CID118207938
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC Name1-acetyl-4-carbamoylpiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(C(N)=O)(C(=O)O)CC1
InChIInChI=1S/C9H14N2O4/c1-6(12)11-4-2-9(3-5-11,7(10)13)8(14)15/h2-5H2,1H3,(H2,10,13)(H,14,15)
InChIKeyUUCYUUAHOXJFHD-UHFFFAOYSA-N
XLogP-0.81
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid (CID 118207938) is 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid is CC(=O)N1CCC(C(N)=O)(C(=O)O)CC1.
What is the InChIKey of 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid?
The InChIKey is UUCYUUAHOXJFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-6(12)11-4-2-9(3-5-11,7(10)13)8(14)15/h2-5H2,1H3,(H2,10,13)(H,14,15).
What are the key properties of 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid?
1-acetyl-4-carbamoylpiperidine-4-carboxylic acid has a molecular weight of 214.22 g/mol, XLogP of -0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-carbamoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 118207938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).