[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

C20H37N3O — CID 129428882

IUPAC[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCN(CC(C)C)CC1
InChIInChI=1S/C20H37N3O/c1-4-22-11-5-7-18(22)19-8-6-12-23(19)20(24)17-9-13-21(14-10-17)15-16(2)3/h16-19H,4-15H2,1-3H3/t18-,19+/m0/s1
InChIKeyXNSQCBMGHOFFEM-RBUKOAKNSA-N
MW335.54 g/mol
LogP2.83
Rot. Bonds5

About [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone

[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (PubChem CID 129428882) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
PubChem CID129428882
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone
SMILESCCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCN(CC(C)C)CC1
InChIInChI=1S/C20H37N3O/c1-4-22-11-5-7-18(22)19-8-6-12-23(19)20(24)17-9-13-21(14-10-17)15-16(2)3/h16-19H,4-15H2,1-3H3/t18-,19+/m0/s1
InChIKeyXNSQCBMGHOFFEM-RBUKOAKNSA-N
XLogP2.83
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The IUPAC name of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone (CID 129428882) is [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone.
What is the SMILES notation for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The canonical SMILES for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is CCN1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCN(CC(C)C)CC1.
What is the InChIKey of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
The InChIKey is XNSQCBMGHOFFEM-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H37N3O/c1-4-22-11-5-7-18(22)19-8-6-12-23(19)20(24)17-9-13-21(14-10-17)15-16(2)3/h16-19H,4-15H2,1-3H3/t18-,19+/m0/s1.
What are the key properties of [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone?
[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone has a molecular weight of 335.54 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-(2-methylpropyl)piperidin-4-yl]methanone is sourced from PubChem (CID 129428882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).