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

C18H24N2O6 — CID 108563374

IUPAC[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
SMILESCCOC(=O)NC1CCN(C(=O)c2ccc(OC(=O)OCC)cc2)CC1
InChIInChI=1S/C18H24N2O6/c1-3-24-17(22)19-14-9-11-20(12-10-14)16(21)13-5-7-15(8-6-13)26-18(23)25-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyJOXANPHBZDHAEE-UHFFFAOYSA-N
MW364.40 g/mol
LogP2.57
Rot. Bonds5

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

[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate (PubChem CID 108563374) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
PubChem CID108563374
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Name[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
SMILESCCOC(=O)NC1CCN(C(=O)c2ccc(OC(=O)OCC)cc2)CC1
InChIInChI=1S/C18H24N2O6/c1-3-24-17(22)19-14-9-11-20(12-10-14)16(21)13-5-7-15(8-6-13)26-18(23)25-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,22)
InChIKeyJOXANPHBZDHAEE-UHFFFAOYSA-N
XLogP2.57
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.57
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

ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108563373
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
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
ethyl [4-[4-(oxolane-2-carbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108555222
[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
ethyl N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]carbamate
CID 47906995
[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 [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate?
The IUPAC name of [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate (CID 108563374) is [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate.
What is the SMILES notation for [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate?
The canonical SMILES for [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate is CCOC(=O)NC1CCN(C(=O)c2ccc(OC(=O)OCC)cc2)CC1.
What is the InChIKey of [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate?
The InChIKey is JOXANPHBZDHAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-3-24-17(22)19-14-9-11-20(12-10-14)16(21)13-5-7-15(8-6-13)26-18(23)25-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H,19,22).
What are the key properties of [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate?
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate has a molecular weight of 364.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate is sourced from PubChem (CID 108563374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).