benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate

C25H32N2O5 — CID 108566561

IUPACbenzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C25H32N2O5/c1-3-31-22-11-9-19(17-23(22)30-2)10-12-24(28)27-15-13-21(14-16-27)26-25(29)32-18-20-7-5-4-6-8-20/h4-9,11,17,21H,3,10,12-16,18H2,1-2H3,(H,26,29)
InChIKeyPGSOUJGHARMFOJ-UHFFFAOYSA-N
MW440.54 g/mol
LogP3.94
Rot. Bonds9

About benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate

benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 108566561) has the molecular formula C25H32N2O5 and a molecular weight of 440.54 g/mol. Its IUPAC name is benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
PubChem CID108566561
Molecular FormulaC25H32N2O5
Molecular Weight440.54 g/mol
Exact Mass440.23
IUPAC Namebenzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESCCOc1ccc(CCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1OC
InChIInChI=1S/C25H32N2O5/c1-3-31-22-11-9-19(17-23(22)30-2)10-12-24(28)27-15-13-21(14-16-27)26-25(29)32-18-20-7-5-4-6-8-20/h4-9,11,17,21H,3,10,12-16,18H2,1-2H3,(H,26,29)
InChIKeyPGSOUJGHARMFOJ-UHFFFAOYSA-N
XLogP3.94
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]propanamide
CID 108556122
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 108558860
3-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-1,1-dimethylurea
CID 108566557
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-phenylacetamide
CID 108551307
N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]-2-fluorobenzamide
CID 108549384
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-methoxybenzamide
CID 108549245
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]pyridine-2-carboxamide
CID 108557870
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-3-(4-ethoxy-3-methoxyphenyl)propan-1-one
CID 108534071
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-4-yl]-2-sulfanylbenzamide
CID 108554742

Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate (CID 108566561) is benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate is CCOc1ccc(CCC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)cc1OC.
What is the InChIKey of benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is PGSOUJGHARMFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O5/c1-3-31-22-11-9-19(17-23(22)30-2)10-12-24(28)27-15-13-21(14-16-27)26-25(29)32-18-20-7-5-4-6-8-20/h4-9,11,17,21H,3,10,12-16,18H2,1-2H3,(H,26,29).
What are the key properties of benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate?
benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 440.54 g/mol, XLogP of 3.94, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-[3-(4-ethoxy-3-methoxyphenyl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 108566561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).