[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate

C23H24Cl2N2O6 — CID 108930362

IUPAC[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C23H24Cl2N2O6/c1-2-31-23(30)33-18-6-3-15(4-7-18)22(29)26-17-9-11-27(12-10-17)21(28)14-32-20-8-5-16(24)13-19(20)25/h3-8,13,17H,2,9-12,14H2,1H3,(H,26,29)
InChIKeyAGZDFOZPHNWGHV-UHFFFAOYSA-N
MW495.36 g/mol
LogP4.33
Rot. Bonds7

About [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate

[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate (PubChem CID 108930362) has the molecular formula C23H24Cl2N2O6 and a molecular weight of 495.36 g/mol. Its IUPAC name is [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
PubChem CID108930362
Molecular FormulaC23H24Cl2N2O6
Molecular Weight495.36 g/mol
Exact Mass494.10
IUPAC Name[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
InChIInChI=1S/C23H24Cl2N2O6/c1-2-31-23(30)33-18-6-3-15(4-7-18)22(29)26-17-9-11-27(12-10-17)21(28)14-32-20-8-5-16(24)13-19(20)25/h3-8,13,17H,2,9-12,14H2,1H3,(H,26,29)
InChIKeyAGZDFOZPHNWGHV-UHFFFAOYSA-N
XLogP4.33
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930386
[4-[[1-(2-cyclopentylacetyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930472
2-(2,4-dichlorophenoxy)-N-(1-propanoylpiperidin-4-yl)acetamide
CID 108553385
ethyl [4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548646
N-[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]-2-hydroxybenzamide
CID 108551390
4-chloro-N-[1-[2-(2-ethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550185
3,4-dichloro-N-[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549019
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
[4-[[1-[4-(4-tert-butylphenoxy)butanoyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930368
4-chloro-N-[1-[2-(2,3-dimethylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550145
ethyl [4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108551456
ethyl [4-[[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108930466

Frequently Asked Questions

What is the IUPAC name of [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate (CID 108930362) is [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1.
What is the InChIKey of [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The InChIKey is AGZDFOZPHNWGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O6/c1-2-31-23(30)33-18-6-3-15(4-7-18)22(29)26-17-9-11-27(12-10-17)21(28)14-32-20-8-5-16(24)13-19(20)25/h3-8,13,17H,2,9-12,14H2,1H3,(H,26,29).
What are the key properties of [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate has a molecular weight of 495.36 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108930362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).