ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate

C20H28N2O6 — CID 108563373

IUPACethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)OCC(C)C)CC2)cc1
InChIInChI=1S/C20H28N2O6/c1-4-26-20(25)28-17-7-5-15(6-8-17)18(23)22-11-9-16(10-12-22)21-19(24)27-13-14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyDJSWMGOJDXTJOX-UHFFFAOYSA-N
MW392.45 g/mol
LogP3.21
Rot. Bonds6

About ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate

ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate (PubChem CID 108563373) has the molecular formula C20H28N2O6 and a molecular weight of 392.45 g/mol. Its IUPAC name is ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
PubChem CID108563373
Molecular FormulaC20H28N2O6
Molecular Weight392.45 g/mol
Exact Mass392.19
IUPAC Nameethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)OCC(C)C)CC2)cc1
InChIInChI=1S/C20H28N2O6/c1-4-26-20(25)28-17-7-5-15(6-8-17)18(23)22-11-9-16(10-12-22)21-19(24)27-13-14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,21,24)
InChIKeyDJSWMGOJDXTJOX-UHFFFAOYSA-N
XLogP3.21
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.21
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-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
ethyl [4-[[1-(2-methylpropanoyl)piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108548646
ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108555222
ethyl [4-[4-[(3,4,5-trihydroxybenzoyl)amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108551456
ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930423
[4-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930521
[4-[4-[(2-cyclohexylideneacetyl)amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930527
methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate
CID 108754961
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
[4-[4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate (CID 108563373) is ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)OCC(C)C)CC2)cc1.
What is the InChIKey of ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
The InChIKey is DJSWMGOJDXTJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O6/c1-4-26-20(25)28-17-7-5-15(6-8-17)18(23)22-11-9-16(10-12-22)21-19(24)27-13-14(2)3/h5-8,14,16H,4,9-13H2,1-3H3,(H,21,24).
What are the key properties of ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate has a molecular weight of 392.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate is sourced from PubChem (CID 108563373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).