(1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium

C7H14N3O+ — CID 145256819

IUPAC(1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium
SMILESNC(=[NH2+])C(=O)C1CCNCC1
InChIInChI=1S/C7H13N3O/c8-7(9)6(11)5-1-3-10-4-2-5/h5,10H,1-4H2,(H3,8,9)/p+1
InChIKeyYBUYOHYKJAPUFE-UHFFFAOYSA-O
MW156.21 g/mol
LogP-2.33
Rot. Bonds2

About (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium

(1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium (PubChem CID 145256819) has the molecular formula C7H14N3O+ and a molecular weight of 156.21 g/mol. Its IUPAC name is (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium.

Molecular Properties

Compound Name(1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium
PubChem CID145256819
Molecular FormulaC7H14N3O+
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name(1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium
SMILESNC(=[NH2+])C(=O)C1CCNCC1
InChIInChI=1S/C7H13N3O/c8-7(9)6(11)5-1-3-10-4-2-5/h5,10H,1-4H2,(H3,8,9)/p+1
InChIKeyYBUYOHYKJAPUFE-UHFFFAOYSA-O
XLogP-2.33
TPSA80.71 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
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 (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium?
The IUPAC name of (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium (CID 145256819) is (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium.
What is the SMILES notation for (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium?
The canonical SMILES for (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium is NC(=[NH2+])C(=O)C1CCNCC1.
What is the InChIKey of (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium?
The InChIKey is YBUYOHYKJAPUFE-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N3O/c8-7(9)6(11)5-1-3-10-4-2-5/h5,10H,1-4H2,(H3,8,9)/p+1.
What are the key properties of (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium?
(1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium has a molecular weight of 156.21 g/mol, XLogP of -2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-oxo-2-piperidin-4-ylethylidene)azanium is sourced from PubChem (CID 145256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).