ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate

C22H33N3O6 — CID 173252905

IUPACethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)NCCCOc1ccc(C(=O)N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H33N3O6/c1-4-30-20(26)16-24(2)22(28)23-11-8-14-31-17-9-10-18(19(15-17)29-3)21(27)25-12-6-5-7-13-25/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,23,28)
InChIKeyCVOVGWZYEZTYBT-UHFFFAOYSA-N
MW435.52 g/mol
LogP2.29
Rot. Bonds10

About ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate

ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate (PubChem CID 173252905) has the molecular formula C22H33N3O6 and a molecular weight of 435.52 g/mol. Its IUPAC name is ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate
PubChem CID173252905
Molecular FormulaC22H33N3O6
Molecular Weight435.52 g/mol
Exact Mass435.24
IUPAC Nameethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate
SMILESCCOC(=O)CN(C)C(=O)NCCCOc1ccc(C(=O)N2CCCCC2)c(OC)c1
InChIInChI=1S/C22H33N3O6/c1-4-30-20(26)16-24(2)22(28)23-11-8-14-31-17-9-10-18(19(15-17)29-3)21(27)25-12-6-5-7-13-25/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,23,28)
InChIKeyCVOVGWZYEZTYBT-UHFFFAOYSA-N
XLogP2.29
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.52
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(2,4-dimethoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110808976
[2-(2-aminoethoxy)-4-methoxyphenyl]-(azetidin-1-yl)methanone
CID 118773491
ethyl 5-[3-methoxy-4-[4-(2-oxo-3,4-dihydroquinolin-1-yl)piperidine-1-carbonyl]phenoxy]pentanoate
CID 10553681
4-(2,4-dimethoxybenzoyl)-N-[3-(N-methylanilino)propyl]piperazine-1-carboxamide
CID 55911236
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
(4-bromo-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 78988655
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 119300875
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
CID 108881332
1-(2,4-diethoxybenzoyl)piperidine-3-carbohydrazide
CID 54793952
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
4-(2,4-dimethoxybenzoyl)-N-(2,2-dimethylpropyl)piperazine-1-carboxamide
CID 110812395
cyclohexyl-[4-(2,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807026

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate?
The IUPAC name of ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate (CID 173252905) is ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate is CCOC(=O)CN(C)C(=O)NCCCOc1ccc(C(=O)N2CCCCC2)c(OC)c1.
What is the InChIKey of ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate?
The InChIKey is CVOVGWZYEZTYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O6/c1-4-30-20(26)16-24(2)22(28)23-11-8-14-31-17-9-10-18(19(15-17)29-3)21(27)25-12-6-5-7-13-25/h9-10,15H,4-8,11-14,16H2,1-3H3,(H,23,28).
What are the key properties of ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate?
ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate has a molecular weight of 435.52 g/mol, XLogP of 2.29, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[3-methoxy-4-(piperidine-1-carbonyl)phenoxy]propylcarbamoyl-methylamino]acetate is sourced from PubChem (CID 173252905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).