1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone

C13H24N2O — CID 164751842

IUPAC1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC([C@H]2CC[C@H](C)CN2)C1
InChIInChI=1S/C13H24N2O/c1-10-5-6-13(14-8-10)12-4-3-7-15(9-12)11(2)16/h10,12-14H,3-9H2,1-2H3/t10-,12?,13+/m0/s1
InChIKeyCUQOEDFFLHFXJZ-RDWQBYKPSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds1

About 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone

1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone (PubChem CID 164751842) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone
PubChem CID164751842
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC([C@H]2CC[C@H](C)CN2)C1
InChIInChI=1S/C13H24N2O/c1-10-5-6-13(14-8-10)12-4-3-7-15(9-12)11(2)16/h10,12-14H,3-9H2,1-2H3/t10-,12?,13+/m0/s1
InChIKeyCUQOEDFFLHFXJZ-RDWQBYKPSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(azetidin-3-yl)piperidin-1-yl]ethanone
CID 166469294
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
1-(3-cyclopentylpiperidin-1-yl)ethanone
CID 91592675
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]ethanone
CID 126758675
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
2-[4-(5-methylpiperidin-2-yl)piperidin-1-yl]acetic acid;methyl 2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetate;2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetic acid
CID 170620680
(5-methylpiperidin-2-yl)-pyrrolidin-1-ylmethanone
CID 19909692
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 73102563
1-[4-(3-methylpiperidine-1-carbonyl)piperazin-1-yl]ethanone
CID 108988685
N-propyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886149
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone (CID 164751842) is 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC([C@H]2CC[C@H](C)CN2)C1.
What is the InChIKey of 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is CUQOEDFFLHFXJZ-RDWQBYKPSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-5-6-13(14-8-10)12-4-3-7-15(9-12)11(2)16/h10,12-14H,3-9H2,1-2H3/t10-,12?,13+/m0/s1.
What are the key properties of 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone?
1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R,5S)-5-methylpiperidin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 164751842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).