2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one

C14H25N3O — CID 106021778

IUPAC2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1NC2(CCCC2)C(=O)N1CC1CCCN1C
InChIInChI=1S/C14H25N3O/c1-11-15-14(7-3-4-8-14)13(18)17(11)10-12-6-5-9-16(12)2/h11-12,15H,3-10H2,1-2H3
InChIKeyAZDCXJULYZFMEI-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.17
Rot. Bonds2

About 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one

2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one (PubChem CID 106021778) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one.

Molecular Properties

Compound Name2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
PubChem CID106021778
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one
SMILESCC1NC2(CCCC2)C(=O)N1CC1CCCN1C
InChIInChI=1S/C14H25N3O/c1-11-15-14(7-3-4-8-14)13(18)17(11)10-12-6-5-9-16(12)2/h11-12,15H,3-10H2,1-2H3
InChIKeyAZDCXJULYZFMEI-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 114137896
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83248460
2-methyl-3-(2-piperidin-1-ylethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83244839
3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
3-(2-cyclohexylethyl)-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83256361
3-[4-(dimethylamino)butyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83247462
5-methyl-6-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83241893
3-[(1-ethylcyclobutyl)methyl]-2-methyl-1,3-diazaspiro[4.4]nonan-4-one
CID 114109762
6-butyl-5-methyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83238133
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
3-(1,2-dimethylpiperidin-4-yl)-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83260804
5-methyl-6-(2-thiomorpholin-4-ylethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114173990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The IUPAC name of 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one (CID 106021778) is 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one.
What is the SMILES notation for 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The canonical SMILES for 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one is CC1NC2(CCCC2)C(=O)N1CC1CCCN1C.
What is the InChIKey of 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
The InChIKey is AZDCXJULYZFMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-15-14(7-3-4-8-14)13(18)17(11)10-12-6-5-9-16(12)2/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one?
2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one has a molecular weight of 251.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1,3-diazaspiro[4.4]nonan-4-one is sourced from PubChem (CID 106021778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).