1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone

C17H30N2O3 — CID 95271011

IUPAC1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C17H30N2O3/c1-13-5-3-6-14(2)19(13)16(20)12-18-8-4-7-15(11-18)17-21-9-10-22-17/h13-15,17H,3-12H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyREPYEDBKLIIPGB-ZNMIVQPWSA-N
MW310.44 g/mol
LogP1.86
Rot. Bonds3

About 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone (PubChem CID 95271011) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
PubChem CID95271011
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1
InChIInChI=1S/C17H30N2O3/c1-13-5-3-6-14(2)19(13)16(20)12-18-8-4-7-15(11-18)17-21-9-10-22-17/h13-15,17H,3-12H2,1-2H3/t13-,14+,15-/m0/s1
InChIKeyREPYEDBKLIIPGB-ZNMIVQPWSA-N
XLogP1.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone 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

1-(2,6-dimethylpiperidin-1-yl)-2-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119919999
N-(1-cyclopropylethyl)-2-[3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56526659
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95270915
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]piperazine-1-sulfonamide
CID 134038724
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 114961096
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119927631
methyl 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112730611
1-[[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methyl]-4-methylcyclohexan-1-ol
CID 97216802
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-methoxypiperidin-1-yl)ethanone
CID 94513032
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86972245
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone (CID 95271011) is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](C2OCCO2)C1.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
The InChIKey is REPYEDBKLIIPGB-ZNMIVQPWSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-13-5-3-6-14(2)19(13)16(20)12-18-8-4-7-15(11-18)17-21-9-10-22-17/h13-15,17H,3-12H2,1-2H3/t13-,14+,15-/m0/s1.
What are the key properties of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone?
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone has a molecular weight of 310.44 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[(3S)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 95271011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).