3-piperazin-1-ylazepan-2-one;hydrochloride

C10H20ClN3O — CID 54595148

IUPAC3-piperazin-1-ylazepan-2-one;hydrochloride
SMILESCl.O=C1NCCCCC1N1CCNCC1
InChIInChI=1S/C10H19N3O.ClH/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13;/h9,11H,1-8H2,(H,12,14);1H
InChIKeyTWAWWBLQUPHERX-UHFFFAOYSA-N
MW233.74 g/mol
LogP-0.02
Rot. Bonds1

About 3-piperazin-1-ylazepan-2-one;hydrochloride

3-piperazin-1-ylazepan-2-one;hydrochloride (PubChem CID 54595148) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is 3-piperazin-1-ylazepan-2-one;hydrochloride.

Molecular Properties

Compound Name3-piperazin-1-ylazepan-2-one;hydrochloride
PubChem CID54595148
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name3-piperazin-1-ylazepan-2-one;hydrochloride
SMILESCl.O=C1NCCCCC1N1CCNCC1
InChIInChI=1S/C10H19N3O.ClH/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13;/h9,11H,1-8H2,(H,12,14);1H
InChIKeyTWAWWBLQUPHERX-UHFFFAOYSA-N
XLogP-0.02
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-ylazepan-2-one;hydrochloride?
The IUPAC name of 3-piperazin-1-ylazepan-2-one;hydrochloride (CID 54595148) is 3-piperazin-1-ylazepan-2-one;hydrochloride.
What is the SMILES notation for 3-piperazin-1-ylazepan-2-one;hydrochloride?
The canonical SMILES for 3-piperazin-1-ylazepan-2-one;hydrochloride is Cl.O=C1NCCCCC1N1CCNCC1.
What is the InChIKey of 3-piperazin-1-ylazepan-2-one;hydrochloride?
The InChIKey is TWAWWBLQUPHERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c14-10-9(3-1-2-4-12-10)13-7-5-11-6-8-13;/h9,11H,1-8H2,(H,12,14);1H.
What are the key properties of 3-piperazin-1-ylazepan-2-one;hydrochloride?
3-piperazin-1-ylazepan-2-one;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-ylazepan-2-one;hydrochloride is sourced from PubChem (CID 54595148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).