[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate

C23H27NO5 — CID 55317036

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
SMILESCC1CCCCN1C(=O)COC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H27NO5/c1-18-9-7-8-14-24(18)22(25)17-29-23(26)20-12-5-6-13-21(20)28-16-15-27-19-10-3-2-4-11-19/h2-6,10-13,18H,7-9,14-17H2,1H3
InChIKeyNOCDKKJCCKSWEZ-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.70
Rot. Bonds8

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate (PubChem CID 55317036) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
PubChem CID55317036
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
SMILESCC1CCCCN1C(=O)COC(=O)c1ccccc1OCCOc1ccccc1
InChIInChI=1S/C23H27NO5/c1-18-9-7-8-14-24(18)22(25)17-29-23(26)20-12-5-6-13-21(20)28-16-15-27-19-10-3-2-4-11-19/h2-6,10-13,18H,7-9,14-17H2,1H3
InChIKeyNOCDKKJCCKSWEZ-UHFFFAOYSA-N
XLogP3.70
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 55327333
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
CID 7505878
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975
[2-(cycloheptylamino)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 4215187
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 8015609
2-[2-(2-methylpyrrolidin-1-yl)-2-oxoethoxy]benzenecarbothioamide
CID 54882490
N-[3-[(2S)-2-methylpiperidin-1-yl]-3-oxopropyl]-2-(2-phenoxyethoxy)acetamide
CID 95287547
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678609
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228522

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate (CID 55317036) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate is CC1CCCCN1C(=O)COC(=O)c1ccccc1OCCOc1ccccc1.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
The InChIKey is NOCDKKJCCKSWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-18-9-7-8-14-24(18)22(25)17-29-23(26)20-12-5-6-13-21(20)28-16-15-27-19-10-3-2-4-11-19/h2-6,10-13,18H,7-9,14-17H2,1H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate has a molecular weight of 397.47 g/mol, XLogP of 3.70, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate is sourced from PubChem (CID 55317036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).