2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride

C14H27Cl2N3O — CID 68666401

IUPAC2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride
SMILESCN1CCC2(CCCN(C3CCNCC3)C2)C1=O.Cl.Cl
InChIInChI=1S/C14H25N3O.2ClH/c1-16-10-6-14(13(16)18)5-2-9-17(11-14)12-3-7-15-8-4-12;;/h12,15H,2-11H2,1H3;2*1H
InChIKeyRKRJNOUYGVRHMX-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.53
Rot. Bonds1

About 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride

2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride (PubChem CID 68666401) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride
PubChem CID68666401
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC Name2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride
SMILESCN1CCC2(CCCN(C3CCNCC3)C2)C1=O.Cl.Cl
InChIInChI=1S/C14H25N3O.2ClH/c1-16-10-6-14(13(16)18)5-2-9-17(11-14)12-3-7-15-8-4-12;;/h12,15H,2-11H2,1H3;2*1H
InChIKeyRKRJNOUYGVRHMX-UHFFFAOYSA-N
XLogP1.53
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride?
The IUPAC name of 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride (CID 68666401) is 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride.
What is the SMILES notation for 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride?
The canonical SMILES for 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride is CN1CCC2(CCCN(C3CCNCC3)C2)C1=O.Cl.Cl.
What is the InChIKey of 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride?
The InChIKey is RKRJNOUYGVRHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c1-16-10-6-14(13(16)18)5-2-9-17(11-14)12-3-7-15-8-4-12;;/h12,15H,2-11H2,1H3;2*1H.
What are the key properties of 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride?
2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-1-one;dihydrochloride is sourced from PubChem (CID 68666401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).