1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one

C16H23N3O2 — CID 53185964

IUPAC1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
SMILESO=C(CCc1ccnc(N2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C16H23N3O2/c20-16(19-9-11-21-12-10-19)4-3-14-5-6-17-15(13-14)18-7-1-2-8-18/h5-6,13H,1-4,7-12H2
InChIKeyWXOKKNYRDDEPHJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.47
Rot. Bonds4

About 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one

1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one (PubChem CID 53185964) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
PubChem CID53185964
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one
SMILESO=C(CCc1ccnc(N2CCCC2)c1)N1CCOCC1
InChIInChI=1S/C16H23N3O2/c20-16(19-9-11-21-12-10-19)4-3-14-5-6-17-15(13-14)18-7-1-2-8-18/h5-6,13H,1-4,7-12H2
InChIKeyWXOKKNYRDDEPHJ-UHFFFAOYSA-N
XLogP1.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one (CID 53185964) is 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one is O=C(CCc1ccnc(N2CCCC2)c1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
The InChIKey is WXOKKNYRDDEPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(19-9-11-21-12-10-19)4-3-14-5-6-17-15(13-14)18-7-1-2-8-18/h5-6,13H,1-4,7-12H2.
What are the key properties of 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one?
1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one has a molecular weight of 289.38 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(2-pyrrolidin-1-yl-4-pyridinyl)propan-1-one is sourced from PubChem (CID 53185964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).