1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide

C11H17N3O3 — CID 18588799

IUPAC1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C11H17N3O3/c12-9(15)7-3-5-14(6-4-7)11(17)10(16)13-8-1-2-8/h7-8H,1-6H2,(H2,12,15)(H,13,16)
InChIKeyXSGNWAZRJOCHLV-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.01
Rot. Bonds2

About 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide

1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide (PubChem CID 18588799) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide
PubChem CID18588799
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)C(=O)NC2CC2)CC1
InChIInChI=1S/C11H17N3O3/c12-9(15)7-3-5-14(6-4-7)11(17)10(16)13-8-1-2-8/h7-8H,1-6H2,(H2,12,15)(H,13,16)
InChIKeyXSGNWAZRJOCHLV-UHFFFAOYSA-N
XLogP-1.01
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide (CID 18588799) is 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)C(=O)NC2CC2)CC1.
What is the InChIKey of 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
The InChIKey is XSGNWAZRJOCHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c12-9(15)7-3-5-14(6-4-7)11(17)10(16)13-8-1-2-8/h7-8H,1-6H2,(H2,12,15)(H,13,16).
What are the key properties of 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide?
1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide has a molecular weight of 239.27 g/mol, XLogP of -1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclopropylamino)-2-oxoacetyl]piperidine-4-carboxamide is sourced from PubChem (CID 18588799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).