2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one

C16H28N2O — CID 176740074

IUPAC2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCC1CCN(C2CC3(C2)CN(C(=O)C(C)C)C3)CC1
InChIInChI=1S/C16H28N2O/c1-12(2)15(19)18-10-16(11-18)8-14(9-16)17-6-4-13(3)5-7-17/h12-14H,4-11H2,1-3H3
InChIKeyNIHGFQLEIDTGDT-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.37
Rot. Bonds2

About 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one

2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one (PubChem CID 176740074) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
PubChem CID176740074
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
SMILESCC1CCN(C2CC3(C2)CN(C(=O)C(C)C)C3)CC1
InChIInChI=1S/C16H28N2O/c1-12(2)15(19)18-10-16(11-18)8-14(9-16)17-6-4-13(3)5-7-17/h12-14H,4-11H2,1-3H3
InChIKeyNIHGFQLEIDTGDT-UHFFFAOYSA-N
XLogP2.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
1-[7-(4-methylpiperidin-1-yl)-2-azaspiro[3.5]nonan-2-yl]ethanone
CID 176968361
1-(4-cycloheptylpiperazin-1-yl)-2-methylpropan-1-one
CID 59205252
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
2-methyl-1-[6-[(2S)-2-methyl-4-(2-propan-2-ylpyrimidin-5-yl)piperazin-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 170612949
1-(6-fluoro-6-methyl-2-azaspiro[3.3]heptan-2-yl)-2-methylpropan-1-one
CID 162092392
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane
CID 166567384
2-propan-2-yl-6-[4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-2-azaspiro[3.3]heptane
CID 168786044
ethane;1-(7-methylspiro[3.5]nonan-2-yl)-4-propan-2-ylpiperazine
CID 176984800
1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
CID 131684089
2-(4-piperidin-1-ylpiperidin-1-yl)-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144917

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one (CID 176740074) is 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one is CC1CCN(C2CC3(C2)CN(C(=O)C(C)C)C3)CC1.
What is the InChIKey of 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
The InChIKey is NIHGFQLEIDTGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-12(2)15(19)18-10-16(11-18)8-14(9-16)17-6-4-13(3)5-7-17/h12-14H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one?
2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one has a molecular weight of 264.41 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one is sourced from PubChem (CID 176740074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).