2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

C19H33N3O2 — CID 129426701

IUPAC2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C19H33N3O2/c1-3-20-11-6-9-17(20)18-10-7-13-22(18)19(24)14-16-8-4-5-12-21(16)15(2)23/h16-18H,3-14H2,1-2H3/t16-,17+,18+/m0/s1
InChIKeyRAZMSEHMIKZHJA-RCCFBDPRSA-N
MW335.49 g/mol
LogP2.25
Rot. Bonds4

About 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone

2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (PubChem CID 129426701) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
PubChem CID129426701
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
SMILESCCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H]1CCCCN1C(C)=O
InChIInChI=1S/C19H33N3O2/c1-3-20-11-6-9-17(20)18-10-7-13-22(18)19(24)14-16-8-4-5-12-21(16)15(2)23/h16-18H,3-14H2,1-2H3/t16-,17+,18+/m0/s1
InChIKeyRAZMSEHMIKZHJA-RCCFBDPRSA-N
XLogP2.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentylsulfonyl-1-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95306760
2-cyclopentylsulfonyl-1-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129430392
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
(3S)-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-3-methoxybutan-1-one
CID 129428215
1-[2-(1-ethylpyrrolidin-2-yl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780300
2-(1-acetylpyrrolidin-2-yl)acetamide
CID 127011222
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(oxan-4-yl)methanone
CID 129430336
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95348858
2-[(2R)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95351455
[(3R)-1,1-dioxothiolan-3-yl]-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430499
[(3R)-1,1-dioxothiolan-3-yl]-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 129430501
benzyl 2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-[2-[(2S)-1-acetylpyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetyl]pyrrolidin-2-yl]acetate
CID 100993644

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone (CID 129426701) is 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is CCN1CCC[C@@H]1[C@H]1CCCN1C(=O)C[C@@H]1CCCCN1C(C)=O.
What is the InChIKey of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is RAZMSEHMIKZHJA-RCCFBDPRSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-3-20-11-6-9-17(20)18-10-7-13-22(18)19(24)14-16-8-4-5-12-21(16)15(2)23/h16-18H,3-14H2,1-2H3/t16-,17+,18+/m0/s1.
What are the key properties of 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone?
2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 335.49 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-acetylpiperidin-2-yl]-1-[(2R)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 129426701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).