2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

C17H31N3O2 — CID 53193386

IUPAC2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C17H31N3O2/c21-17(15-19-11-13-22-14-12-19)20-9-2-1-5-16(20)6-10-18-7-3-4-8-18/h16H,1-15H2
InChIKeyDOGRNIYCOVEOBT-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.19
Rot. Bonds5

About 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone

2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 53193386) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID53193386
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESO=C(CN1CCOCC1)N1CCCCC1CCN1CCCC1
InChIInChI=1S/C17H31N3O2/c21-17(15-19-11-13-22-14-12-19)20-9-2-1-5-16(20)6-10-18-7-3-4-8-18/h16H,1-15H2
InChIKeyDOGRNIYCOVEOBT-UHFFFAOYSA-N
XLogP1.19
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone (CID 53193386) is 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is O=C(CN1CCOCC1)N1CCCCC1CCN1CCCC1.
What is the InChIKey of 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is DOGRNIYCOVEOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-17(15-19-11-13-22-14-12-19)20-9-2-1-5-16(20)6-10-18-7-3-4-8-18/h16H,1-15H2.
What are the key properties of 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone?
2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 309.45 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53193386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).