morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone

C23H36N4O3 — CID 59250205

IUPACmorpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)N4CCOCC4)CC3)cc2)CC1
InChIInChI=1S/C23H36N4O3/c1-19(2)24-9-7-22(8-10-24)30-21-5-3-20(4-6-21)25-11-13-26(14-12-25)23(28)27-15-17-29-18-16-27/h3-6,19,22H,7-18H2,1-2H3
InChIKeyWWPPLYXQFDJHHN-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.51
Rot. Bonds4

About morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone

morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone (PubChem CID 59250205) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
PubChem CID59250205
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Namemorpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone
SMILESCC(C)N1CCC(Oc2ccc(N3CCN(C(=O)N4CCOCC4)CC3)cc2)CC1
InChIInChI=1S/C23H36N4O3/c1-19(2)24-9-7-22(8-10-24)30-21-5-3-20(4-6-21)25-11-13-26(14-12-25)23(28)27-15-17-29-18-16-27/h3-6,19,22H,7-18H2,1-2H3
InChIKeyWWPPLYXQFDJHHN-UHFFFAOYSA-N
XLogP2.51
TPSA48.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(4-piperidin-1-ylphenoxy)-1-propan-2-ylpiperidine
CID 141090677
3-[2-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-1-morpholin-4-ylprop-2-en-1-one
CID 90042280
N-methyl-4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]oxan-4-amine
CID 154379731
(4-propan-2-ylpiperazin-1-yl)-[6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalen-2-yl]methanone
CID 69070920
[4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 11441745
1-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]ethanone
CID 58747945
4-(1-methylcyclohexanecarbonyl)-1-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-2-one
CID 15986819
morpholin-4-yl-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone
CID 16727359
[1-(5-morpholin-4-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
CID 89487685
(4-propan-2-ylpiperazin-1-yl)-[5-(1-propan-2-ylpiperidin-4-yl)oxy-1H-indol-2-yl]methanone
CID 69284738
2-[4-[4-(oxan-4-yloxy)phenyl]piperazin-1-yl]ethyl carbamate
CID 175027947
[4-(4-imidazol-1-ylphenoxy)cyclohexyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25124682

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone (CID 59250205) is morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone is CC(C)N1CCC(Oc2ccc(N3CCN(C(=O)N4CCOCC4)CC3)cc2)CC1.
What is the InChIKey of morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone?
The InChIKey is WWPPLYXQFDJHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-19(2)24-9-7-22(8-10-24)30-21-5-3-20(4-6-21)25-11-13-26(14-12-25)23(28)27-15-17-29-18-16-27/h3-6,19,22H,7-18H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone?
morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone has a molecular weight of 416.57 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 59250205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).