ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate

C23H33NO6 — CID 55307202

IUPACethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2ccc(OCCC(C)C)cc2)CC1
InChIInChI=1S/C23H33NO6/c1-5-28-22(26)19-10-13-24(14-11-19)21(25)17(4)30-23(27)18-6-8-20(9-7-18)29-15-12-16(2)3/h6-9,16-17,19H,5,10-15H2,1-4H3
InChIKeyHYYPOCDSPLBSCN-UHFFFAOYSA-N
MW419.52 g/mol
LogP3.46
Rot. Bonds9

About ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate

ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate (PubChem CID 55307202) has the molecular formula C23H33NO6 and a molecular weight of 419.52 g/mol. Its IUPAC name is ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate
PubChem CID55307202
Molecular FormulaC23H33NO6
Molecular Weight419.52 g/mol
Exact Mass419.23
IUPAC Nameethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2ccc(OCCC(C)C)cc2)CC1
InChIInChI=1S/C23H33NO6/c1-5-28-22(26)19-10-13-24(14-11-19)21(25)17(4)30-23(27)18-6-8-20(9-7-18)29-15-12-16(2)3/h6-9,16-17,19H,5,10-15H2,1-4H3
InChIKeyHYYPOCDSPLBSCN-UHFFFAOYSA-N
XLogP3.46
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 55378993
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-(4-pentoxybenzoyl)piperidine-4-carboxylate
CID 17230839
ethyl 1-[2-(4-cyanophenoxy)propanoyl]piperidine-4-carboxylate
CID 47005116
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 55537135
ethyl 1-[[4-(2-ethoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate
CID 17231092
ethyl 1-[[4-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate
CID 17231062
ethyl 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 55406560
ethyl 1-[2-(4-morpholin-4-yl-3-nitrobenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901931
azepan-1-yl-[1-[4-(3-methylbutoxy)benzoyl]piperidin-4-yl]methanone
CID 134029878
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate (CID 55307202) is ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)c2ccc(OCCC(C)C)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is HYYPOCDSPLBSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO6/c1-5-28-22(26)19-10-13-24(14-11-19)21(25)17(4)30-23(27)18-6-8-20(9-7-18)29-15-12-16(2)3/h6-9,16-17,19H,5,10-15H2,1-4H3.
What are the key properties of ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 419.52 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[4-(3-methylbutoxy)benzoyl]oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55307202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).