2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one

C13H24N2O2 — CID 112703555

IUPAC2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(17-2)13(16)15-8-5-11(6-9-15)12-4-3-7-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyHVJGIBVCTLLXNM-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds3

About 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one

2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 112703555) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
PubChem CID112703555
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCC(C2CCCN2)CC1
InChIInChI=1S/C13H24N2O2/c1-10(17-2)13(16)15-8-5-11(6-9-15)12-4-3-7-14-12/h10-12,14H,3-9H2,1-2H3
InChIKeyHVJGIBVCTLLXNM-UHFFFAOYSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one (CID 112703555) is 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one is COC(C)C(=O)N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is HVJGIBVCTLLXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(17-2)13(16)15-8-5-11(6-9-15)12-4-3-7-14-12/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one?
2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 240.35 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 112703555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).