ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate

C24H28N2O5 — CID 108930423

IUPACethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-3-30-24(29)31-21-10-8-18(9-11-21)23(28)26-14-12-20(13-15-26)25-22(27)16-19-7-5-4-6-17(19)2/h4-11,20H,3,12-16H2,1-2H3,(H,25,27)
InChIKeyAJWYATLDJUYMSH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.49
Rot. Bonds6

About ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate

ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate (PubChem CID 108930423) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate
PubChem CID108930423
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Nameethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)Cc3ccccc3C)CC2)cc1
InChIInChI=1S/C24H28N2O5/c1-3-30-24(29)31-21-10-8-18(9-11-21)23(28)26-14-12-20(13-15-26)25-22(27)16-19-7-5-4-6-17(19)2/h4-11,20H,3,12-16H2,1-2H3,(H,25,27)
InChIKeyAJWYATLDJUYMSH-UHFFFAOYSA-N
XLogP3.49
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.49
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-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930449
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
ethyl [4-[4-[3-(3-methylphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930457
ethyl [4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930156
ethyl [4-[4-(2-methylpropoxycarbonylamino)piperidine-1-carbonyl]phenyl] carbonate
CID 108563373
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391
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-methylbenzoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108533352
[4-[4-[[(E)-4,4-dimethylpent-2-enoyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930521

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate (CID 108930423) is ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)Cc3ccccc3C)CC2)cc1.
What is the InChIKey of ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate?
The InChIKey is AJWYATLDJUYMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-3-30-24(29)31-21-10-8-18(9-11-21)23(28)26-14-12-20(13-15-26)25-22(27)16-19-7-5-4-6-17(19)2/h4-11,20H,3,12-16H2,1-2H3,(H,25,27).
What are the key properties of ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate?
ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate has a molecular weight of 424.50 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[4-[[2-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate is sourced from PubChem (CID 108930423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).