3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

C17H30N2O2 — CID 72881946

IUPAC3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN2C[C@@H](C)[C@](O)(C3CC3)C2)CC1
InChIInChI=1S/C17H30N2O2/c1-13-5-9-19(10-6-13)16(20)7-8-18-11-14(2)17(21,12-18)15-3-4-15/h13-15,21H,3-12H2,1-2H3/t14-,17+/m1/s1
InChIKeyLRPKXQBGCCXZEC-PBHICJAKSA-N
MW294.44 g/mol
LogP1.73
Rot. Bonds4

About 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 72881946) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID72881946
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN2C[C@@H](C)[C@](O)(C3CC3)C2)CC1
InChIInChI=1S/C17H30N2O2/c1-13-5-9-19(10-6-13)16(20)7-8-18-11-14(2)17(21,12-18)15-3-4-15/h13-15,21H,3-12H2,1-2H3/t14-,17+/m1/s1
InChIKeyLRPKXQBGCCXZEC-PBHICJAKSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one (CID 72881946) is 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(=O)CCN2C[C@@H](C)[C@](O)(C3CC3)C2)CC1.
What is the InChIKey of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LRPKXQBGCCXZEC-PBHICJAKSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-13-5-9-19(10-6-13)16(20)7-8-18-11-14(2)17(21,12-18)15-3-4-15/h13-15,21H,3-12H2,1-2H3/t14-,17+/m1/s1.
What are the key properties of 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one?
3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 294.44 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 72881946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).