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

C20H26N2O6 — CID 108555222

IUPACethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H26N2O6/c1-2-26-20(25)28-16-7-5-14(6-8-16)19(24)22-11-9-15(10-12-22)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23)
InChIKeyWAFFLWFLOAQPSK-UHFFFAOYSA-N
MW390.44 g/mol
LogP2.12
Rot. Bonds5

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

ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate (PubChem CID 108555222) has the molecular formula C20H26N2O6 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
PubChem CID108555222
Molecular FormulaC20H26N2O6
Molecular Weight390.44 g/mol
Exact Mass390.18
IUPAC Nameethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)C3CCCO3)CC2)cc1
InChIInChI=1S/C20H26N2O6/c1-2-26-20(25)28-16-7-5-14(6-8-16)19(24)22-11-9-15(10-12-22)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23)
InChIKeyWAFFLWFLOAQPSK-UHFFFAOYSA-N
XLogP2.12
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.12
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-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108563373
[4-[4-[(2-cyclohexylideneacetyl)amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930527
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-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108557245
methyl 1-(4-ethoxycarbonyloxybenzoyl)piperidine-4-carboxylate
CID 108754961
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
ethyl [4-[[2-(oxolane-2-carbonylamino)phenyl]carbamoyl]phenyl] carbonate
CID 108931010
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate (CID 108555222) is ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)C3CCCO3)CC2)cc1.
What is the InChIKey of ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
The InChIKey is WAFFLWFLOAQPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O6/c1-2-26-20(25)28-16-7-5-14(6-8-16)19(24)22-11-9-15(10-12-22)21-18(23)17-4-3-13-27-17/h5-8,15,17H,2-4,9-13H2,1H3,(H,21,23).
What are the key properties of ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate?
ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate has a molecular weight of 390.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate is sourced from PubChem (CID 108555222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).