3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one

C10H20N4O — CID 176933313

IUPAC3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESN/C=C\N(N)CCC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c11-5-9-14(12)8-4-10(15)13-6-2-1-3-7-13/h5,9H,1-4,6-8,11-12H2/b9-5-
InChIKeyKHWQNWWGYWMKDC-UITAMQMPSA-N
MW212.30 g/mol
LogP-0.01
Rot. Bonds4

About 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one

3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 176933313) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID176933313
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one
SMILESN/C=C\N(N)CCC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c11-5-9-14(12)8-4-10(15)13-6-2-1-3-7-13/h5,9H,1-4,6-8,11-12H2/b9-5-
InChIKeyKHWQNWWGYWMKDC-UITAMQMPSA-N
XLogP-0.01
TPSA75.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-bis(azepan-1-yl)butane-1,4-dione
CID 5206430
3-[ethyl(methyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 162750091
1-(azepan-1-yl)-3-hydroxypropan-1-one
CID 82111325
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244
8-(azonan-1-yl)-8-oxooctanamide
CID 54569305
2-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-1-piperidin-1-ylethanone
CID 14367450
N-(3-oxo-3-piperidin-1-ylpropyl)-N-prop-2-enylmethanesulfonamide
CID 113136448
3-[[amino(methyl)amino]methylamino]-1-piperidin-1-ylpropan-1-one
CID 137454148
1,3-bis(azepan-1-yl)propan-1-one
CID 109033498
2-(3-oxo-3-pyrrolidin-1-ylpropyl)sulfanylacetamide
CID 60734306
[3-(azocan-1-yl)-3-oxopropyl] carbamate
CID 69258184
1,3-bis(azepan-1-yl)propane-1,3-dione
CID 108952660

Frequently Asked Questions

What is the IUPAC name of 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one (CID 176933313) is 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one is N/C=C\N(N)CCC(=O)N1CCCCC1.
What is the InChIKey of 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is KHWQNWWGYWMKDC-UITAMQMPSA-N. The full InChI is InChI=1S/C10H20N4O/c11-5-9-14(12)8-4-10(15)13-6-2-1-3-7-13/h5,9H,1-4,6-8,11-12H2/b9-5-.
What are the key properties of 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one?
3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 212.30 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino-[(Z)-2-aminoethenyl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 176933313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).