N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride

C9H21ClN2O2 — CID 20978232

IUPACN-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride
SMILESC.CC(C(=O)NO)N1CCCCC1.Cl
InChIInChI=1S/C8H16N2O2.CH4.ClH/c1-7(8(11)9-12)10-5-3-2-4-6-10;;/h7,12H,2-6H2,1H3,(H,9,11);1H4;1H
InChIKeyBDQBHWPCYMMZMR-UHFFFAOYSA-N
MW224.73 g/mol
LogP1.42
Rot. Bonds2

About N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride

N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride (PubChem CID 20978232) has the molecular formula C9H21ClN2O2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride
PubChem CID20978232
Molecular FormulaC9H21ClN2O2
Molecular Weight224.73 g/mol
Exact Mass224.13
IUPAC NameN-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride
SMILESC.CC(C(=O)NO)N1CCCCC1.Cl
InChIInChI=1S/C8H16N2O2.CH4.ClH/c1-7(8(11)9-12)10-5-3-2-4-6-10;;/h7,12H,2-6H2,1H3,(H,9,11);1H4;1H
InChIKeyBDQBHWPCYMMZMR-UHFFFAOYSA-N
XLogP1.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride?
The IUPAC name of N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride (CID 20978232) is N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride.
What is the SMILES notation for N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride?
The canonical SMILES for N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride is C.CC(C(=O)NO)N1CCCCC1.Cl.
What is the InChIKey of N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride?
The InChIKey is BDQBHWPCYMMZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2.CH4.ClH/c1-7(8(11)9-12)10-5-3-2-4-6-10;;/h7,12H,2-6H2,1H3,(H,9,11);1H4;1H.
What are the key properties of N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride?
N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride has a molecular weight of 224.73 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-piperidin-1-ylpropanamide;methane;hydrochloride is sourced from PubChem (CID 20978232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).