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

C19H34N4O3 — CID 129178241

IUPAC1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-2-18(24)22-9-7-21(8-10-22)15-17-3-5-20(6-4-17)16-19(25)23-11-13-26-14-12-23/h17H,2-16H2,1H3
InChIKeyMBNZEZYSXBIIMJ-UHFFFAOYSA-N
MW366.51 g/mol
LogP0.11
Rot. Bonds5

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

1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one (PubChem CID 129178241) has the molecular formula C19H34N4O3 and a molecular weight of 366.51 g/mol. Its IUPAC name is 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one
PubChem CID129178241
Molecular FormulaC19H34N4O3
Molecular Weight366.51 g/mol
Exact Mass366.26
IUPAC Name1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H34N4O3/c1-2-18(24)22-9-7-21(8-10-22)15-17-3-5-20(6-4-17)16-19(25)23-11-13-26-14-12-23/h17H,2-16H2,1H3
InChIKeyMBNZEZYSXBIIMJ-UHFFFAOYSA-N
XLogP0.11
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one (CID 129178241) is 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one?
The InChIKey is MBNZEZYSXBIIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3/c1-2-18(24)22-9-7-21(8-10-22)15-17-3-5-20(6-4-17)16-19(25)23-11-13-26-14-12-23/h17H,2-16H2,1H3.
What are the key properties of 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one?
1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one has a molecular weight of 366.51 g/mol, XLogP of 0.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 129178241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).