[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone

C12H22N2O — CID 120625537

IUPAC[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1
InChIInChI=1S/C12H22N2O/c1-9-4-6-14(8-9)12(15)11-3-5-13-10(2)7-11/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyXFWAHPLAEJMCCB-DVRYWGNFSA-N
MW210.32 g/mol
LogP1.24
Rot. Bonds1

About [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone

[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone (PubChem CID 120625537) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
PubChem CID120625537
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
SMILESCC1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1
InChIInChI=1S/C12H22N2O/c1-9-4-6-14(8-9)12(15)11-3-5-13-10(2)7-11/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m0/s1
InChIKeyXFWAHPLAEJMCCB-DVRYWGNFSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(2-methylpiperidin-4-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 106740610
[(3S)-3-methylpyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 90192135
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(2-methylpiperidin-4-yl)methanone
CID 106740019
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120639174
1-(3,5-dimethylpiperidin-1-yl)-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 120631687
[(2S,4S)-2-methylpiperidin-4-yl]-(4-pyrrolidin-1-ylazepan-1-yl)methanone;hydrochloride
CID 120637153
(2-methylpyrrolidin-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 79388150
1-cyclohexyl-3-[1-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperidin-4-yl]urea
CID 120625762

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone (CID 120625537) is [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone is CC1CCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1.
What is the InChIKey of [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone?
The InChIKey is XFWAHPLAEJMCCB-DVRYWGNFSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9-4-6-14(8-9)12(15)11-3-5-13-10(2)7-11/h9-11,13H,3-8H2,1-2H3/t9?,10-,11-/m0/s1.
What are the key properties of [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone?
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120625537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).