1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone

C21H32N2O — CID 124867040

IUPAC1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]1CCc1ccccc1
InChIInChI=1S/C21H32N2O/c1-17-8-6-9-18(2)23(17)21(24)16-22-15-7-12-20(22)14-13-19-10-4-3-5-11-19/h3-5,10-11,17-18,20H,6-9,12-16H2,1-2H3/t17-,18+,20-/m0/s1
InChIKeySWOJKJVUWHYUIQ-NSHGMRRFSA-N
MW328.50 g/mol
LogP3.87
Rot. Bonds5

About 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone

1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone (PubChem CID 124867040) has the molecular formula C21H32N2O and a molecular weight of 328.50 g/mol. Its IUPAC name is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
PubChem CID124867040
Molecular FormulaC21H32N2O
Molecular Weight328.50 g/mol
Exact Mass328.25
IUPAC Name1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]1CCc1ccccc1
InChIInChI=1S/C21H32N2O/c1-17-8-6-9-18(2)23(17)21(24)16-22-15-7-12-20(22)14-13-19-10-4-3-5-11-19/h3-5,10-11,17-18,20H,6-9,12-16H2,1-2H3/t17-,18+,20-/m0/s1
InChIKeySWOJKJVUWHYUIQ-NSHGMRRFSA-N
XLogP3.87
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

(5S)-3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 25362720
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81490562
N-(4-cyanophenyl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 112842074
2-[(2S)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983003
2-[(2R)-2-(2-pyridin-4-ylethyl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124983002
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-[2-(2-phenylethyl)pyrrolidin-1-yl]acetamide
CID 51120174
(6R)-1-methyl-2,6-bis(2-phenylethyl)piperidine
CID 59910919
2-(4-benzylsulfonylpiperazin-1-ium-1-yl)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethanone
CID 8694098
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355289
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylsulfanylethanone
CID 2355287
3-[1-(3-phenylpropyl)pyrrolidin-2-yl]propanoic acid
CID 82183365

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone (CID 124867040) is 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone is C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H]1CCc1ccccc1.
What is the InChIKey of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SWOJKJVUWHYUIQ-NSHGMRRFSA-N. The full InChI is InChI=1S/C21H32N2O/c1-17-8-6-9-18(2)23(17)21(24)16-22-15-7-12-20(22)14-13-19-10-4-3-5-11-19/h3-5,10-11,17-18,20H,6-9,12-16H2,1-2H3/t17-,18+,20-/m0/s1.
What are the key properties of 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone?
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 328.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[(2R)-2-(2-phenylethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 124867040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).