[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone

C21H25N3O2 — CID 50846241

IUPAC[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(-c2ccc(N3CCOCC3)nc2)c1)N1CCCCC1
InChIInChI=1S/C21H25N3O2/c25-21(24-9-2-1-3-10-24)18-6-4-5-17(15-18)19-7-8-20(22-16-19)23-11-13-26-14-12-23/h4-8,15-16H,1-3,9-14H2
InChIKeyAWEYWDYGEWNCLR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.21
Rot. Bonds3

About [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone

[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 50846241) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone
PubChem CID50846241
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccc(-c2ccc(N3CCOCC3)nc2)c1)N1CCCCC1
InChIInChI=1S/C21H25N3O2/c25-21(24-9-2-1-3-10-24)18-6-4-5-17(15-18)19-7-8-20(22-16-19)23-11-13-26-14-12-23/h4-8,15-16H,1-3,9-14H2
InChIKeyAWEYWDYGEWNCLR-UHFFFAOYSA-N
XLogP3.21
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone (CID 50846241) is [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone is O=C(c1cccc(-c2ccc(N3CCOCC3)nc2)c1)N1CCCCC1.
What is the InChIKey of [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is AWEYWDYGEWNCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(24-9-2-1-3-10-24)18-6-4-5-17(15-18)19-7-8-20(22-16-19)23-11-13-26-14-12-23/h4-8,15-16H,1-3,9-14H2.
What are the key properties of [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone?
[3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 351.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-morpholin-4-yl-3-pyridinyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 50846241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).