[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone

C17H30N2O2 — CID 86283762

IUPAC[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
SMILESCCN1CCC(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)CC1
InChIInChI=1S/C17H30N2O2/c1-4-18-9-7-13(8-10-18)15(20)19-11-16(2,3)17(21,12-19)14-5-6-14/h13-14,21H,4-12H2,1-3H3/t17-/m1/s1
InChIKeyJPEJRBZCAHBVPC-QGZVFWFLSA-N
MW294.44 g/mol
LogP1.73
Rot. Bonds3

About [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone

[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone (PubChem CID 86283762) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
PubChem CID86283762
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone
SMILESCCN1CCC(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)CC1
InChIInChI=1S/C17H30N2O2/c1-4-18-9-7-13(8-10-18)15(20)19-11-16(2,3)17(21,12-19)14-5-6-14/h13-14,21H,4-12H2,1-3H3/t17-/m1/s1
InChIKeyJPEJRBZCAHBVPC-QGZVFWFLSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
The IUPAC name of [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone (CID 86283762) is [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone.
What is the SMILES notation for [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
The canonical SMILES for [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone is CCN1CCC(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)CC1.
What is the InChIKey of [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
The InChIKey is JPEJRBZCAHBVPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-4-18-9-7-13(8-10-18)15(20)19-11-16(2,3)17(21,12-19)14-5-6-14/h13-14,21H,4-12H2,1-3H3/t17-/m1/s1.
What are the key properties of [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone?
[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidin-1-yl]-(1-ethylpiperidin-4-yl)methanone is sourced from PubChem (CID 86283762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).