3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one

C9H14N4O — CID 141363746

IUPAC3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one
SMILESNC1CCCN(Cc2ncc[nH]2)C1=O
InChIInChI=1S/C9H14N4O/c10-7-2-1-5-13(9(7)14)6-8-11-3-4-12-8/h3-4,7H,1-2,5-6,10H2,(H,11,12)
InChIKeyHFRMJSGCPISMCP-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.14
Rot. Bonds2

About 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one

3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one (PubChem CID 141363746) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one
PubChem CID141363746
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one
SMILESNC1CCCN(Cc2ncc[nH]2)C1=O
InChIInChI=1S/C9H14N4O/c10-7-2-1-5-13(9(7)14)6-8-11-3-4-12-8/h3-4,7H,1-2,5-6,10H2,(H,11,12)
InChIKeyHFRMJSGCPISMCP-UHFFFAOYSA-N
XLogP-0.14
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one?
The IUPAC name of 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one (CID 141363746) is 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one is NC1CCCN(Cc2ncc[nH]2)C1=O.
What is the InChIKey of 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one?
The InChIKey is HFRMJSGCPISMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7-2-1-5-13(9(7)14)6-8-11-3-4-12-8/h3-4,7H,1-2,5-6,10H2,(H,11,12).
What are the key properties of 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one?
3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one has a molecular weight of 194.24 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(1H-imidazol-2-ylmethyl)piperidin-2-one is sourced from PubChem (CID 141363746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).