5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride

C12H22ClN3O2 — CID 119564607

IUPAC5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride
SMILESCC1CN(C(=O)C2CCC(=O)NC2)CC(C)N1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-8-6-15(7-9(2)14-8)12(17)10-3-4-11(16)13-5-10;/h8-10,14H,3-7H2,1-2H3,(H,13,16);1H
InChIKeyBXXKXCNWNQHPGN-UHFFFAOYSA-N
MW275.78 g/mol
LogP0.14
Rot. Bonds1

About 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride

5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride (PubChem CID 119564607) has the molecular formula C12H22ClN3O2 and a molecular weight of 275.78 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride.

Molecular Properties

Compound Name5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride
PubChem CID119564607
Molecular FormulaC12H22ClN3O2
Molecular Weight275.78 g/mol
Exact Mass275.14
IUPAC Name5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride
SMILESCC1CN(C(=O)C2CCC(=O)NC2)CC(C)N1.Cl
InChIInChI=1S/C12H21N3O2.ClH/c1-8-6-15(7-9(2)14-8)12(17)10-3-4-11(16)13-5-10;/h8-10,14H,3-7H2,1-2H3,(H,13,16);1H
InChIKeyBXXKXCNWNQHPGN-UHFFFAOYSA-N
XLogP0.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride?
The IUPAC name of 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride (CID 119564607) is 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride.
What is the SMILES notation for 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride?
The canonical SMILES for 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride is CC1CN(C(=O)C2CCC(=O)NC2)CC(C)N1.Cl.
What is the InChIKey of 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride?
The InChIKey is BXXKXCNWNQHPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2.ClH/c1-8-6-15(7-9(2)14-8)12(17)10-3-4-11(16)13-5-10;/h8-10,14H,3-7H2,1-2H3,(H,13,16);1H.
What are the key properties of 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride?
5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride has a molecular weight of 275.78 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperazine-1-carbonyl)piperidin-2-one;hydrochloride is sourced from PubChem (CID 119564607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).