3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one

C23H43N3O2 — CID 138570790

IUPAC3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(CC1CCN(C(C)(C)C2CCCN(C(C)C)C2=O)CC1)N1CCOCC1
InChIInChI=1S/C23H43N3O2/c1-18(2)26-10-6-7-21(22(26)27)23(4,5)25-11-8-20(9-12-25)17-19(3)24-13-15-28-16-14-24/h18-21H,6-17H2,1-5H3
InChIKeyATHHIJBRBCAAHS-UHFFFAOYSA-N
MW393.62 g/mol
LogP3.23
Rot. Bonds6

About 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one

3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 138570790) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID138570790
Molecular FormulaC23H43N3O2
Molecular Weight393.62 g/mol
Exact Mass393.34
IUPAC Name3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one
SMILESCC(CC1CCN(C(C)(C)C2CCCN(C(C)C)C2=O)CC1)N1CCOCC1
InChIInChI=1S/C23H43N3O2/c1-18(2)26-10-6-7-21(22(26)27)23(4,5)25-11-8-20(9-12-25)17-19(3)24-13-15-28-16-14-24/h18-21H,6-17H2,1-5H3
InChIKeyATHHIJBRBCAAHS-UHFFFAOYSA-N
XLogP3.23
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one (CID 138570790) is 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one is CC(CC1CCN(C(C)(C)C2CCCN(C(C)C)C2=O)CC1)N1CCOCC1.
What is the InChIKey of 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is ATHHIJBRBCAAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O2/c1-18(2)26-10-6-7-21(22(26)27)23(4,5)25-11-8-20(9-12-25)17-19(3)24-13-15-28-16-14-24/h18-21H,6-17H2,1-5H3.
What are the key properties of 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one?
3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 393.62 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-morpholin-4-ylpropyl)piperidin-1-yl]propan-2-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 138570790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).