3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one

C9H20N4O — CID 143285916

IUPAC3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one
SMILESCNNC1CCN(C(=O)CCN)CC1
InChIInChI=1S/C9H20N4O/c1-11-12-8-3-6-13(7-4-8)9(14)2-5-10/h8,11-12H,2-7,10H2,1H3
InChIKeyHXJQAKINOIFKSO-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.95
Rot. Bonds4

About 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one

3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one (PubChem CID 143285916) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one
PubChem CID143285916
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one
SMILESCNNC1CCN(C(=O)CCN)CC1
InChIInChI=1S/C9H20N4O/c1-11-12-8-3-6-13(7-4-8)9(14)2-5-10/h8,11-12H,2-7,10H2,1H3
InChIKeyHXJQAKINOIFKSO-UHFFFAOYSA-N
XLogP-0.95
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one (CID 143285916) is 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one is CNNC1CCN(C(=O)CCN)CC1.
What is the InChIKey of 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one?
The InChIKey is HXJQAKINOIFKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-11-12-8-3-6-13(7-4-8)9(14)2-5-10/h8,11-12H,2-7,10H2,1H3.
What are the key properties of 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one?
3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one has a molecular weight of 200.29 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(2-methylhydrazinyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 143285916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).