(Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one

C8H15N3O — CID 142562080

IUPAC(Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one
SMILESN/C=C(\N)C(=O)N1CCCCC1
InChIInChI=1S/C8H15N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h6H,1-5,9-10H2/b7-6-
InChIKeyDKJZLLQIDPNEHE-SREVYHEPSA-N
MW169.23 g/mol
LogP-0.24
Rot. Bonds1

About (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one

(Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one (PubChem CID 142562080) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one
PubChem CID142562080
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name(Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one
SMILESN/C=C(\N)C(=O)N1CCCCC1
InChIInChI=1S/C8H15N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h6H,1-5,9-10H2/b7-6-
InChIKeyDKJZLLQIDPNEHE-SREVYHEPSA-N
XLogP-0.24
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one (CID 142562080) is (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one is N/C=C(\N)C(=O)N1CCCCC1.
What is the InChIKey of (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is DKJZLLQIDPNEHE-SREVYHEPSA-N. The full InChI is InChI=1S/C8H15N3O/c9-6-7(10)8(12)11-4-2-1-3-5-11/h6H,1-5,9-10H2/b7-6-.
What are the key properties of (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one?
(Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 169.23 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-diamino-1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 142562080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).