1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid

C12H20N2O3 — CID 55035315

IUPAC1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)C1CCNCC1
InChIInChI=1S/C12H20N2O3/c1-14(9-3-7-13-8-4-9)10(15)12(11(16)17)5-2-6-12/h9,13H,2-8H2,1H3,(H,16,17)
InChIKeyPWUDAETZABUZBJ-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.45
Rot. Bonds3

About 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid

1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 55035315) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID55035315
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CCC1)C1CCNCC1
InChIInChI=1S/C12H20N2O3/c1-14(9-3-7-13-8-4-9)10(15)12(11(16)17)5-2-6-12/h9,13H,2-8H2,1H3,(H,16,17)
InChIKeyPWUDAETZABUZBJ-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
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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Related Compounds

1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097310
1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095220
N,1-dimethyl-N-piperidin-4-ylcyclopropane-1-carboxamide
CID 130553377
methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184272
N-(azepan-4-yl)-N,2-dimethyloxolane-2-carboxamide
CID 107172424
2-methyl-1-[methyl(piperidin-4-yl)carbamoyl]piperidine-2-carboxylic acid
CID 104597985
N-methyl-N-piperidin-4-ylbicyclo[3.1.0]hexane-6-carboxamide
CID 81480295
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
CID 80597435
1-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096737
methyl-[(3S)-pyrrolidin-3-yl]carbamic acid
CID 66936290
1-benzyl-N-methyl-N-pyrrolidin-3-ylcyclobutane-1-carboxamide;hydrochloride
CID 119554243
4-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]oxane-4-carboxylic acid
CID 115440401

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid (CID 55035315) is 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid is CN(C(=O)C1(C(=O)O)CCC1)C1CCNCC1.
What is the InChIKey of 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is PWUDAETZABUZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14(9-3-7-13-8-4-9)10(15)12(11(16)17)5-2-6-12/h9,13H,2-8H2,1H3,(H,16,17).
What are the key properties of 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid?
1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 55035315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).