3-imino-3-(2-iminopiperidin-1-yl)propanamide

C8H14N4O — CID 58171464

IUPAC3-imino-3-(2-iminopiperidin-1-yl)propanamide
SMILES[H]/N=C1\CCCCN1/C(CC(N)=O)=N/[H]
InChIInChI=1S/C8H14N4O/c9-6-3-1-2-4-12(6)7(10)5-8(11)13/h9-10H,1-5H2,(H2,11,13)/b9-6+,10-7+
InChIKeyDBFBGTZQJNSUCU-KZZDLZNXSA-N
MW182.23 g/mol
LogP0.30
Rot. Bonds2

About 3-imino-3-(2-iminopiperidin-1-yl)propanamide

3-imino-3-(2-iminopiperidin-1-yl)propanamide (PubChem CID 58171464) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 3-imino-3-(2-iminopiperidin-1-yl)propanamide.

Molecular Properties

Compound Name3-imino-3-(2-iminopiperidin-1-yl)propanamide
PubChem CID58171464
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name3-imino-3-(2-iminopiperidin-1-yl)propanamide
SMILES[H]/N=C1\CCCCN1/C(CC(N)=O)=N/[H]
InChIInChI=1S/C8H14N4O/c9-6-3-1-2-4-12(6)7(10)5-8(11)13/h9-10H,1-5H2,(H2,11,13)/b9-6+,10-7+
InChIKeyDBFBGTZQJNSUCU-KZZDLZNXSA-N
XLogP0.30
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 3-imino-3-(2-iminopiperidin-1-yl)propanamide?
The IUPAC name of 3-imino-3-(2-iminopiperidin-1-yl)propanamide (CID 58171464) is 3-imino-3-(2-iminopiperidin-1-yl)propanamide.
What is the SMILES notation for 3-imino-3-(2-iminopiperidin-1-yl)propanamide?
The canonical SMILES for 3-imino-3-(2-iminopiperidin-1-yl)propanamide is [H]/N=C1\CCCCN1/C(CC(N)=O)=N/[H].
What is the InChIKey of 3-imino-3-(2-iminopiperidin-1-yl)propanamide?
The InChIKey is DBFBGTZQJNSUCU-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H14N4O/c9-6-3-1-2-4-12(6)7(10)5-8(11)13/h9-10H,1-5H2,(H2,11,13)/b9-6+,10-7+.
What are the key properties of 3-imino-3-(2-iminopiperidin-1-yl)propanamide?
3-imino-3-(2-iminopiperidin-1-yl)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-(2-iminopiperidin-1-yl)propanamide is sourced from PubChem (CID 58171464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).