1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C12H20N2O3 — CID 55035175

IUPAC1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(CNC(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O3/c1-14-6-2-3-9(8-14)7-13-10(15)12(4-5-12)11(16)17/h9H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyXPXFPLLYZSRACL-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds4

About 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid

1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 55035175) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID55035175
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCN1CCCC(CNC(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C12H20N2O3/c1-14-6-2-3-9(8-14)7-13-10(15)12(4-5-12)11(16)17/h9H,2-8H2,1H3,(H,13,15)(H,16,17)
InChIKeyXPXFPLLYZSRACL-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
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

methyl 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184300
1-[(1-methylpiperidin-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 55035174
1-[(1-methylpiperidin-3-yl)methylcarbamoylamino]cyclobutane-1-carboxylic acid
CID 81162898
1-[(1-methylpiperidin-3-yl)methylamino]cyclopentane-1-carboxylic acid
CID 115000516
1-(hydroxymethyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115184095
1-carbamothioyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 80589199
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 65242512
1-amino-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]cyclobutane-1-carboxamide
CID 95228987
1-[2-(1-methylpyrrolidin-3-yl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 115183879
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 65465734
1-(N'-hydroxycarbamimidoyl)-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 76920812
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 55035175) is 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is CN1CCCC(CNC(=O)C2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XPXFPLLYZSRACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-14-6-2-3-9(8-14)7-13-10(15)12(4-5-12)11(16)17/h9H,2-8H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55035175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).