1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid

C12H20N2O3 — CID 83022861

IUPAC1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC(C)N1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-8-4-3-5-9(2)14(8)13-10(15)12(6-7-12)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyUDXIEIZAFIVMQX-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.15
Rot. Bonds3

About 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 83022861) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID83022861
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1CCCC(C)N1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H20N2O3/c1-8-4-3-5-9(2)14(8)13-10(15)12(6-7-12)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyUDXIEIZAFIVMQX-UHFFFAOYSA-N
XLogP1.15
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.15
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-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid (CID 83022861) is 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid is CC1CCCC(C)N1NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is UDXIEIZAFIVMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-4-3-5-9(2)14(8)13-10(15)12(6-7-12)11(16)17/h8-9H,3-7H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dimethylpiperidin-1-yl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 83022861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).