5-amino-3-piperidin-4-yl-1H-imidazol-2-one

C8H14N4O — CID 89066618

IUPAC5-amino-3-piperidin-4-yl-1H-imidazol-2-one
SMILESNc1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C8H14N4O/c9-7-5-12(8(13)11-7)6-1-3-10-4-2-6/h5-6,10H,1-4,9H2,(H,11,13)
InChIKeyYIGXTDHIYSAPQS-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.32
Rot. Bonds1

About 5-amino-3-piperidin-4-yl-1H-imidazol-2-one

5-amino-3-piperidin-4-yl-1H-imidazol-2-one (PubChem CID 89066618) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-3-piperidin-4-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-3-piperidin-4-yl-1H-imidazol-2-one
PubChem CID89066618
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-3-piperidin-4-yl-1H-imidazol-2-one
SMILESNc1cn(C2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C8H14N4O/c9-7-5-12(8(13)11-7)6-1-3-10-4-2-6/h5-6,10H,1-4,9H2,(H,11,13)
InChIKeyYIGXTDHIYSAPQS-UHFFFAOYSA-N
XLogP-0.32
TPSA75.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-piperidin-4-yl-1H-imidazol-2-one?
The IUPAC name of 5-amino-3-piperidin-4-yl-1H-imidazol-2-one (CID 89066618) is 5-amino-3-piperidin-4-yl-1H-imidazol-2-one.
What is the SMILES notation for 5-amino-3-piperidin-4-yl-1H-imidazol-2-one?
The canonical SMILES for 5-amino-3-piperidin-4-yl-1H-imidazol-2-one is Nc1cn(C2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 5-amino-3-piperidin-4-yl-1H-imidazol-2-one?
The InChIKey is YIGXTDHIYSAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c9-7-5-12(8(13)11-7)6-1-3-10-4-2-6/h5-6,10H,1-4,9H2,(H,11,13).
What are the key properties of 5-amino-3-piperidin-4-yl-1H-imidazol-2-one?
5-amino-3-piperidin-4-yl-1H-imidazol-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-piperidin-4-yl-1H-imidazol-2-one is sourced from PubChem (CID 89066618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).