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

C12H22N2O — CID 97050947

IUPAC[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1NCCC[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10-11(6-5-7-13-10)12(15)14-8-3-2-4-9-14/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyHYNWCGPXMNVYNI-MNOVXSKESA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds1

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

[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 97050947) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID97050947
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone
SMILESC[C@H]1NCCC[C@@H]1C(=O)N1CCCCC1
InChIInChI=1S/C12H22N2O/c1-10-11(6-5-7-13-10)12(15)14-8-3-2-4-9-14/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyHYNWCGPXMNVYNI-MNOVXSKESA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 81115944
(4-hydroxy-4-methylazepan-1-yl)-(2-methylpiperidin-3-yl)methanone
CID 107404728
(2-methylpyrrolidin-3-yl)-(3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 79388612
(2-methylpyrrolidin-3-yl)-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 79388557
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
1-[(3R)-1-[(2S,3S)-2-methylpiperidine-3-carbonyl]piperidin-3-yl]piperazin-2-one
CID 129347358
ethyl 1-(2-methylpyrrolidine-3-carbonyl)piperidine-3-carboxylate
CID 79383234
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
(3,5-dimethylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 79383471
2-[4-(2-methylpyrrolidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 79384809
[(2R,3S)-2-methyl-2,3,4,7-tetrahydro-1H-azepin-3-yl]-piperidin-1-ylmethanone
CID 92583172
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methylpyrrolidin-3-yl)methanone
CID 81103357

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone (CID 97050947) is [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone is C[C@H]1NCCC[C@@H]1C(=O)N1CCCCC1.
What is the InChIKey of [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is HYNWCGPXMNVYNI-MNOVXSKESA-N. The full InChI is InChI=1S/C12H22N2O/c1-10-11(6-5-7-13-10)12(15)14-8-3-2-4-9-14/h10-11,13H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone?
[(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 210.32 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-methylpiperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 97050947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).