(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate

C19H28N2O2 — CID 57400423

IUPAC(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
SMILESCN1CCC(OC(=O)C(C)(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-19(21-12-6-7-13-21,16-8-4-3-5-9-16)18(22)23-17-10-14-20(2)15-11-17/h3-5,8-9,17H,6-7,10-15H2,1-2H3
InChIKeyFWPJONCBQIJIRI-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.63
Rot. Bonds4

About (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate

(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate (PubChem CID 57400423) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
PubChem CID57400423
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
SMILESCN1CCC(OC(=O)C(C)(c2ccccc2)N2CCCC2)CC1
InChIInChI=1S/C19H28N2O2/c1-19(21-12-6-7-13-21,16-8-4-3-5-9-16)18(22)23-17-10-14-20(2)15-11-17/h3-5,8-9,17H,6-7,10-15H2,1-2H3
InChIKeyFWPJONCBQIJIRI-UHFFFAOYSA-N
XLogP2.63
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate?
The IUPAC name of (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate (CID 57400423) is (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate is CN1CCC(OC(=O)C(C)(c2ccccc2)N2CCCC2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate?
The InChIKey is FWPJONCBQIJIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(21-12-6-7-13-21,16-8-4-3-5-9-16)18(22)23-17-10-14-20(2)15-11-17/h3-5,8-9,17H,6-7,10-15H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate?
(1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate has a molecular weight of 316.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 57400423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).