2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C12H22N2O3 — CID 79410340

IUPAC2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-9-4-2-3-5-14(9)12(17)8-13-6-10(15)11(16)7-13/h9-11,15-16H,2-8H2,1H3/t9?,10-,11+
InChIKeySFOWFSIVGGOJOS-FGWVZKOKSA-N
MW242.32 g/mol
LogP-0.58
Rot. Bonds2

About 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 79410340) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID79410340
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C12H22N2O3/c1-9-4-2-3-5-14(9)12(17)8-13-6-10(15)11(16)7-13/h9-11,15-16H,2-8H2,1H3/t9?,10-,11+
InChIKeySFOWFSIVGGOJOS-FGWVZKOKSA-N
XLogP-0.58
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-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

2-(3,5-dimethylpiperazin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 63873492
1-(2-methylpiperidin-1-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 127272562
(3S,4S)-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953860
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
2-[(1S,2R)-2-hydroxycyclohexyl]-1-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 124881787
2-[4-(2-chloroprop-2-enyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 134001219
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-3-carbaldehyde
CID 62654368
ethyl 2-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetate
CID 134055468
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
N-methyl-1-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42542254
2-(4-amino-3-ethylpiperidin-1-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 81458745
1-(2-methylpiperidin-1-yl)-2-sulfanylethanone
CID 60650037

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 79410340) is 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is SFOWFSIVGGOJOS-FGWVZKOKSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-4-2-3-5-14(9)12(17)8-13-6-10(15)11(16)7-13/h9-11,15-16H,2-8H2,1H3/t9?,10-,11+.
What are the key properties of 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 242.32 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 79410340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).