1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H20N2O4 — CID 112622922

IUPAC1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(CCNC(=O)C1(C(=O)O)CC1)N1CCCCC1
InChIInChI=1S/C13H20N2O4/c16-10(15-8-2-1-3-9-15)4-7-14-11(17)13(5-6-13)12(18)19/h1-9H2,(H,14,17)(H,18,19)
InChIKeyXXUGLNVKXMQGKG-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds5

About 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 112622922) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID112622922
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(CCNC(=O)C1(C(=O)O)CC1)N1CCCCC1
InChIInChI=1S/C13H20N2O4/c16-10(15-8-2-1-3-9-15)4-7-14-11(17)13(5-6-13)12(18)19/h1-9H2,(H,14,17)(H,18,19)
InChIKeyXXUGLNVKXMQGKG-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
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-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
1-(2-piperidin-1-ylethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 55034653
1-(12-oxo-12-piperidin-1-yldodecanoyl)piperidine-4,4-dicarboxylic acid
CID 86346056
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 113221674
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761918
3-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55164315

Frequently Asked Questions

What is the IUPAC name of 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 112622922) is 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(CCNC(=O)C1(C(=O)O)CC1)N1CCCCC1.
What is the InChIKey of 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is XXUGLNVKXMQGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-10(15-8-2-1-3-9-15)4-7-14-11(17)13(5-6-13)12(18)19/h1-9H2,(H,14,17)(H,18,19).
What are the key properties of 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112622922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).