1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

C12H18N2O4 — CID 103941342

IUPAC1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C12H18N2O4/c1-13-9(15)8-3-2-6-14(7-8)10(16)12(4-5-12)11(17)18/h8H,2-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyPAZJJYPHSWNOOA-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.16
Rot. Bonds3

About 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid

1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 103941342) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID103941342
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
SMILESCNC(=O)C1CCCN(C(=O)C2(C(=O)O)CC2)C1
InChIInChI=1S/C12H18N2O4/c1-13-9(15)8-3-2-6-14(7-8)10(16)12(4-5-12)11(17)18/h8H,2-7H2,1H3,(H,13,15)(H,17,18)
InChIKeyPAZJJYPHSWNOOA-UHFFFAOYSA-N
XLogP-0.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.16
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-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103195835
1-(1-aminocyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103811036
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-(3-carbamoylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 55035164
2,3-dimethyl-4-[3-(methylcarbamoyl)piperidin-1-yl]-4-oxobut-2-enoic acid
CID 103194981
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835
N-methyl-1-[2-[1-(methylamino)cyclohexyl]acetyl]piperidine-3-carboxamide
CID 103195278
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972017
1-(piperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 62096399
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311
N-methyl-1-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 103195243

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid (CID 103941342) is 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is CNC(=O)C1CCCN(C(=O)C2(C(=O)O)CC2)C1.
What is the InChIKey of 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is PAZJJYPHSWNOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-13-9(15)8-3-2-6-14(7-8)10(16)12(4-5-12)11(17)18/h8H,2-7H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid?
1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).