[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone

C14H26N2O — CID 104967374

IUPAC[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2[C@H](C)CCC[C@@H]2C)CCNC1
InChIInChI=1S/C14H26N2O/c1-4-14(8-9-15-10-14)13(17)16-11(2)6-5-7-12(16)3/h11-12,15H,4-10H2,1-3H3/t11-,12+,14?
InChIKeyMUOAKMLKASRPSG-ONXXMXGDSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone

[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 104967374) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID104967374
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)N2[C@H](C)CCC[C@@H]2C)CCNC1
InChIInChI=1S/C14H26N2O/c1-4-14(8-9-15-10-14)13(17)16-11(2)6-5-7-12(16)3/h11-12,15H,4-10H2,1-3H3/t11-,12+,14?
InChIKeyMUOAKMLKASRPSG-ONXXMXGDSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 65320934
(2,6-dimethylpiperidin-1-yl)-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106979589
(4,4-dimethylpiperidin-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 55165162
(3-ethylpyrrolidin-3-yl)-(3-methylmorpholin-4-yl)methanone
CID 63138588
N-(cyclobutylmethyl)-3-ethyl-N-methylpyrrolidine-3-carboxamide
CID 63142224
(4,4-dimethylazepan-1-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 65281182
(2S)-1-(3-ethylpyrrolidine-3-carbonyl)piperidine-2-carboxylic acid
CID 66264088
1-[4-(3-ethylpyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 63140257
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196
2-[1-(3-ethylpyrrolidine-3-carbonyl)pyrrolidin-2-yl]acetic acid
CID 55164770
2-[cyclopentyl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 63141424
2-azabicyclo[2.2.1]heptan-2-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 63142542

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone (CID 104967374) is [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)N2[C@H](C)CCC[C@@H]2C)CCNC1.
What is the InChIKey of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is MUOAKMLKASRPSG-ONXXMXGDSA-N. The full InChI is InChI=1S/C14H26N2O/c1-4-14(8-9-15-10-14)13(17)16-11(2)6-5-7-12(16)3/h11-12,15H,4-10H2,1-3H3/t11-,12+,14?.
What are the key properties of [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone?
[(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylpiperidin-1-yl]-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 104967374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).