ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate

C25H30N2O6 — CID 108930449

IUPACethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3OC)CC2)cc1
InChIInChI=1S/C25H30N2O6/c1-3-32-25(30)33-21-11-8-19(9-12-21)24(29)27-16-14-20(15-17-27)26-23(28)13-10-18-6-4-5-7-22(18)31-2/h4-9,11-12,20H,3,10,13-17H2,1-2H3,(H,26,28)
InChIKeyJUZGTNLVLZMWKT-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.58
Rot. Bonds8

About ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate

ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate (PubChem CID 108930449) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate.

Molecular Properties

Compound Nameethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
PubChem CID108930449
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Nameethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3OC)CC2)cc1
InChIInChI=1S/C25H30N2O6/c1-3-32-25(30)33-21-11-8-19(9-12-21)24(29)27-16-14-20(15-17-27)26-23(28)13-10-18-6-4-5-7-22(18)31-2/h4-9,11-12,20H,3,10,13-17H2,1-2H3,(H,26,28)
InChIKeyJUZGTNLVLZMWKT-UHFFFAOYSA-N
XLogP3.58
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.58
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-(2-methylphenyl)acetyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930423
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-3-(2-methoxyphenyl)propanamide
CID 108935651
[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
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
[4-[4-(3,3-dimethylbutanoylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563377
3-(2-bromophenyl)-N-[1-(4-ethoxybenzoyl)piperidin-4-yl]propanamide
CID 112838965
ethyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 31844266
ethyl [4-[2-[3-(2-methoxyphenyl)propanoylamino]ethylcarbamoyl]phenyl] carbonate
CID 108929853
methyl 4-[3-(2-ethoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 86841468
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
[4-[[1-[3-(2-bromophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] ethyl carbonate
CID 108930454

Frequently Asked Questions

What is the IUPAC name of ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate?
The IUPAC name of ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate (CID 108930449) is ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate.
What is the SMILES notation for ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate?
The canonical SMILES for ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate is CCOC(=O)Oc1ccc(C(=O)N2CCC(NC(=O)CCc3ccccc3OC)CC2)cc1.
What is the InChIKey of ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate?
The InChIKey is JUZGTNLVLZMWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-3-32-25(30)33-21-11-8-19(9-12-21)24(29)27-16-14-20(15-17-27)26-23(28)13-10-18-6-4-5-7-22(18)31-2/h4-9,11-12,20H,3,10,13-17H2,1-2H3,(H,26,28).
What are the key properties of ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate?
ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate has a molecular weight of 454.52 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-[4-[3-(2-methoxyphenyl)propanoylamino]piperidine-1-carbonyl]phenyl] carbonate is sourced from PubChem (CID 108930449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).