2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

C20H30N2O — CID 124838955

IUPAC2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
SMILESCC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H30N2O/c1-2-18-11-6-7-14-22(18)20(23)16-21-13-8-12-19(21)15-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m0/s1
InChIKeyVMZHTWSAQSNGLX-OALUTQOASA-N
MW314.47 g/mol
LogP3.48
Rot. Bonds5

About 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone (PubChem CID 124838955) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
PubChem CID124838955
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
SMILESCC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H30N2O/c1-2-18-11-6-7-14-22(18)20(23)16-21-13-8-12-19(21)15-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m0/s1
InChIKeyVMZHTWSAQSNGLX-OALUTQOASA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
1-(2-ethylpiperidin-1-yl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116637297
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
benzyl 4-(2-ethylpiperidin-1-yl)-4-oxobutanoate
CID 138554546
2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
1-[2-[(2S)-2-benzylpiperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 95298452
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
1-[2-(2-ethylazepan-1-yl)-2-oxoethyl]pyrrole-2-carboxylic acid
CID 104691186
N-benzyl-N-ethyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108947324

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone (CID 124838955) is 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone is CC[C@H]1CCCCN1C(=O)CN1CCC[C@H]1Cc1ccccc1.
What is the InChIKey of 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
The InChIKey is VMZHTWSAQSNGLX-OALUTQOASA-N. The full InChI is InChI=1S/C20H30N2O/c1-2-18-11-6-7-14-22(18)20(23)16-21-13-8-12-19(21)15-17-9-4-3-5-10-17/h3-5,9-10,18-19H,2,6-8,11-16H2,1H3/t18-,19-/m0/s1.
What are the key properties of 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone?
2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone has a molecular weight of 314.47 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-benzylpyrrolidin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 124838955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).