[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate

C22H22Cl2N2O5 — CID 108930386

IUPAC[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C22H22Cl2N2O5/c1-2-30-22(29)31-17-6-3-14(4-7-17)20(27)25-16-9-11-26(12-10-16)21(28)18-13-15(23)5-8-19(18)24/h3-8,13,16H,2,9-12H2,1H3,(H,25,27)
InChIKeyVNCGNUKAOXZZLP-UHFFFAOYSA-N
MW465.33 g/mol
LogP4.56
Rot. Bonds5

About [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate

[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate (PubChem CID 108930386) has the molecular formula C22H22Cl2N2O5 and a molecular weight of 465.33 g/mol. Its IUPAC name is [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
PubChem CID108930386
Molecular FormulaC22H22Cl2N2O5
Molecular Weight465.33 g/mol
Exact Mass464.09
IUPAC Name[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C22H22Cl2N2O5/c1-2-30-22(29)31-17-6-3-14(4-7-17)20(27)25-16-9-11-26(12-10-16)21(28)18-13-15(23)5-8-19(18)24/h3-8,13,16H,2,9-12H2,1H3,(H,25,27)
InChIKeyVNCGNUKAOXZZLP-UHFFFAOYSA-N
XLogP4.56
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.33
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl [4-[[1-(2-fluorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548597
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
[4-[[1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930362
ethyl [4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108551456
ethyl [4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548646
[4-[4-[(2-chloro-6-fluorobenzoyl)amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108558614
[4-[[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108548636
ethyl [4-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548603
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
[4-[[1-(2-cyclopentylacetyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930472
[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
[4-[[1-(4-chlorobenzoyl)piperidin-4-yl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108929937

Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate (CID 108930386) is [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
The InChIKey is VNCGNUKAOXZZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N2O5/c1-2-30-22(29)31-17-6-3-14(4-7-17)20(27)25-16-9-11-26(12-10-16)21(28)18-13-15(23)5-8-19(18)24/h3-8,13,16H,2,9-12H2,1H3,(H,25,27).
What are the key properties of [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate?
[4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate has a molecular weight of 465.33 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2,5-dichlorobenzoyl)piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108930386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).