2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride

C16H27Cl2N3O — CID 154910251

IUPAC2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride
SMILESCc1c[nH]c(CN2CCC3(CCNCC3)C2)c(C)c1=O.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-9-18-14(13(2)15(12)20)10-19-8-5-16(11-19)3-6-17-7-4-16;;/h9,17H,3-8,10-11H2,1-2H3,(H,18,20);2*1H
InChIKeySEGFZKBCMQQJTE-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.41
Rot. Bonds2

About 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride

2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride (PubChem CID 154910251) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride.

Molecular Properties

Compound Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride
PubChem CID154910251
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride
SMILESCc1c[nH]c(CN2CCC3(CCNCC3)C2)c(C)c1=O.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-12-9-18-14(13(2)15(12)20)10-19-8-5-16(11-19)3-6-17-7-4-16;;/h9,17H,3-8,10-11H2,1-2H3,(H,18,20);2*1H
InChIKeySEGFZKBCMQQJTE-UHFFFAOYSA-N
XLogP2.41
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride?
The IUPAC name of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride (CID 154910251) is 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride.
What is the SMILES notation for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride?
The canonical SMILES for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride is Cc1c[nH]c(CN2CCC3(CCNCC3)C2)c(C)c1=O.Cl.Cl.
What is the InChIKey of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride?
The InChIKey is SEGFZKBCMQQJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-12-9-18-14(13(2)15(12)20)10-19-8-5-16(11-19)3-6-17-7-4-16;;/h9,17H,3-8,10-11H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride?
2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-diazaspiro[4.5]decan-2-ylmethyl)-3,5-dimethyl-1H-pyridin-4-one;dihydrochloride is sourced from PubChem (CID 154910251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).