N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide

C12H21N3O — CID 156807596

IUPACN-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide
SMILESN/C(=N\C(=O)CC1CCNCC1)C1CCC1
InChIInChI=1S/C12H21N3O/c13-12(10-2-1-3-10)15-11(16)8-9-4-6-14-7-5-9/h9-10,14H,1-8H2,(H2,13,15,16)
InChIKeyBDJYLCRRZSYHIK-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds3

About N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide

N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide (PubChem CID 156807596) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide.

Molecular Properties

Compound NameN-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide
PubChem CID156807596
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide
SMILESN/C(=N\C(=O)CC1CCNCC1)C1CCC1
InChIInChI=1S/C12H21N3O/c13-12(10-2-1-3-10)15-11(16)8-9-4-6-14-7-5-9/h9-10,14H,1-8H2,(H2,13,15,16)
InChIKeyBDJYLCRRZSYHIK-UHFFFAOYSA-N
XLogP1.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide?
The IUPAC name of N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide (CID 156807596) is N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide.
What is the SMILES notation for N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide?
The canonical SMILES for N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide is N/C(=N\C(=O)CC1CCNCC1)C1CCC1.
What is the InChIKey of N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide?
The InChIKey is BDJYLCRRZSYHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c13-12(10-2-1-3-10)15-11(16)8-9-4-6-14-7-5-9/h9-10,14H,1-8H2,(H2,13,15,16).
What are the key properties of N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide?
N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide has a molecular weight of 223.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(cyclobutyl)methylidene]-2-piperidin-4-ylacetamide is sourced from PubChem (CID 156807596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).