4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one

C20H36N4O3 — CID 45249950

IUPAC4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H36N4O3/c1-20(2,3)15-24-9-6-21-19(26)17(24)14-18(25)23-7-4-16(5-8-23)22-10-12-27-13-11-22/h16-17H,4-15H2,1-3H3,(H,21,26)
InChIKeyGPMYOCKNOGFOMJ-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.55
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one

4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one (PubChem CID 45249950) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
PubChem CID45249950
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one
SMILESCC(C)(C)CN1CCNC(=O)C1CC(=O)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H36N4O3/c1-20(2,3)15-24-9-6-21-19(26)17(24)14-18(25)23-7-4-16(5-8-23)22-10-12-27-13-11-22/h16-17H,4-15H2,1-3H3,(H,21,26)
InChIKeyGPMYOCKNOGFOMJ-UHFFFAOYSA-N
XLogP0.55
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The IUPAC name of 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one (CID 45249950) is 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The canonical SMILES for 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one is CC(C)(C)CN1CCNC(=O)C1CC(=O)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
The InChIKey is GPMYOCKNOGFOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c1-20(2,3)15-24-9-6-21-19(26)17(24)14-18(25)23-7-4-16(5-8-23)22-10-12-27-13-11-22/h16-17H,4-15H2,1-3H3,(H,21,26).
What are the key properties of 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one?
4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one has a molecular weight of 380.53 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-2-oxoethyl]piperazin-2-one is sourced from PubChem (CID 45249950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).