[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone

C19H32N2O3 — CID 70788007

IUPAC[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESC[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCCC2)C[C@@]1(O)C1CC1
InChIInChI=1S/C19H32N2O3/c1-15-13-20(14-19(15,23)16-5-6-16)17(22)18(7-3-2-4-8-18)21-9-11-24-12-10-21/h15-16,23H,2-14H2,1H3/t15-,19+/m1/s1
InChIKeyFMZURCYLTCJCRH-BEFAXECRSA-N
MW336.48 g/mol
LogP1.64
Rot. Bonds3

About [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone

[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone (PubChem CID 70788007) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone.

Molecular Properties

Compound Name[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
PubChem CID70788007
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone
SMILESC[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCCC2)C[C@@]1(O)C1CC1
InChIInChI=1S/C19H32N2O3/c1-15-13-20(14-19(15,23)16-5-6-16)17(22)18(7-3-2-4-8-18)21-9-11-24-12-10-21/h15-16,23H,2-14H2,1H3/t15-,19+/m1/s1
InChIKeyFMZURCYLTCJCRH-BEFAXECRSA-N
XLogP1.64
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The IUPAC name of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone (CID 70788007) is [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone.
What is the SMILES notation for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The canonical SMILES for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone is C[C@@H]1CN(C(=O)C2(N3CCOCC3)CCCCC2)C[C@@]1(O)C1CC1.
What is the InChIKey of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
The InChIKey is FMZURCYLTCJCRH-BEFAXECRSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-15-13-20(14-19(15,23)16-5-6-16)17(22)18(7-3-2-4-8-18)21-9-11-24-12-10-21/h15-16,23H,2-14H2,1H3/t15-,19+/m1/s1.
What are the key properties of [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone?
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone has a molecular weight of 336.48 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(1-morpholin-4-ylcyclohexyl)methanone is sourced from PubChem (CID 70788007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).