3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride

C15H27Cl2N5O — CID 119920464

IUPAC3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
SMILESCNC1CCCN(C2CCCN(c3ccn(C)n3)C2=O)C1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-16-12-5-3-8-19(11-12)13-6-4-9-20(15(13)21)14-7-10-18(2)17-14;;/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3;2*1H
InChIKeyJUDLNZJGUWENJF-UHFFFAOYSA-N
MW364.32 g/mol
LogP1.44
Rot. Bonds3

About 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride

3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride (PubChem CID 119920464) has the molecular formula C15H27Cl2N5O and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
PubChem CID119920464
Molecular FormulaC15H27Cl2N5O
Molecular Weight364.32 g/mol
Exact Mass363.16
IUPAC Name3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
SMILESCNC1CCCN(C2CCCN(c3ccn(C)n3)C2=O)C1.Cl.Cl
InChIInChI=1S/C15H25N5O.2ClH/c1-16-12-5-3-8-19(11-12)13-6-4-9-20(15(13)21)14-7-10-18(2)17-14;;/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3;2*1H
InChIKeyJUDLNZJGUWENJF-UHFFFAOYSA-N
XLogP1.44
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride (CID 119920464) is 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride is CNC1CCCN(C2CCCN(c3ccn(C)n3)C2=O)C1.Cl.Cl.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride?
The InChIKey is JUDLNZJGUWENJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.2ClH/c1-16-12-5-3-8-19(11-12)13-6-4-9-20(15(13)21)14-7-10-18(2)17-14;;/h7,10,12-13,16H,3-6,8-9,11H2,1-2H3;2*1H.
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride?
3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride is sourced from PubChem (CID 119920464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).