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

C18H32N4O3 — CID 129178235

IUPAC1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H32N4O3/c1-2-17(23)21-5-3-16(4-6-21)20-9-7-19(8-10-20)15-18(24)22-11-13-25-14-12-22/h16H,2-15H2,1H3
InChIKeyOJCLBSRLIYZXJG-UHFFFAOYSA-N
MW352.48 g/mol
LogP-0.14
Rot. Bonds4

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

1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 129178235) has the molecular formula C18H32N4O3 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID129178235
Molecular FormulaC18H32N4O3
Molecular Weight352.48 g/mol
Exact Mass352.25
IUPAC Name1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C18H32N4O3/c1-2-17(23)21-5-3-16(4-6-21)20-9-7-19(8-10-20)15-18(24)22-11-13-25-14-12-22/h16H,2-15H2,1H3
InChIKeyOJCLBSRLIYZXJG-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 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one (CID 129178235) is 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(N2CCN(CC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is OJCLBSRLIYZXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O3/c1-2-17(23)21-5-3-16(4-6-21)20-9-7-19(8-10-20)15-18(24)22-11-13-25-14-12-22/h16H,2-15H2,1H3.
What are the key properties of 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one?
1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-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 1-[4-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 129178235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).