2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

C18H32N4O3 — CID 60592794

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-16(18(24)22-5-3-2-4-6-22)20-9-7-19(8-10-20)15-17(23)21-11-13-25-14-12-21/h16H,2-15H2,1H3
InChIKeyYQNCILMSDLQVNA-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.14
Rot. Bonds4

About 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one

2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 60592794) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID60592794
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H32N4O3/c1-16(18(24)22-5-3-2-4-6-22)20-9-7-19(8-10-20)15-17(23)21-11-13-25-14-12-21/h16H,2-15H2,1H3
InChIKeyYQNCILMSDLQVNA-UHFFFAOYSA-N
XLogP-0.14
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one (CID 60592794) is 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is CC(C(=O)N1CCCCC1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YQNCILMSDLQVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-16(18(24)22-5-3-2-4-6-22)20-9-7-19(8-10-20)15-17(23)21-11-13-25-14-12-21/h16H,2-15H2,1H3.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one?
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 352.48 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60592794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).