ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate

C17H22ClNO5 — CID 136528260

IUPACethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(C(=O)CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO5/c1-2-23-16(21)17(22)8-10-19(11-9-17)15(20)7-12-24-14-5-3-13(18)4-6-14/h3-6,22H,2,7-12H2,1H3
InChIKeySMRVABPFNLAIEN-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.03
Rot. Bonds6

About ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate

ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate (PubChem CID 136528260) has the molecular formula C17H22ClNO5 and a molecular weight of 355.82 g/mol. Its IUPAC name is ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
PubChem CID136528260
Molecular FormulaC17H22ClNO5
Molecular Weight355.82 g/mol
Exact Mass355.12
IUPAC Nameethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(O)CCN(C(=O)CCOc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H22ClNO5/c1-2-23-16(21)17(22)8-10-19(11-9-17)15(20)7-12-24-14-5-3-13(18)4-6-14/h3-6,22H,2,7-12H2,1H3
InChIKeySMRVABPFNLAIEN-UHFFFAOYSA-N
XLogP2.03
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-hydroxy-1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylate
CID 134109409
1-(4-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenoxy)propan-1-one
CID 80707475
1-(4-aminopiperidin-1-yl)-3-(4-chlorophenoxy)propan-1-one;hydrochloride
CID 119373511
3-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704533
2-(4-chlorophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 80706729
2-(4-chlorophenoxy)-1-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103726935
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 108547297
3-ethyl-1-(3-phenoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63146290
ethyl 7-(4-chlorophenoxy)heptanoate
CID 158846599
4-amino-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pentan-1-one
CID 120564268
3-(4-methylphenoxy)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60634826
ethyl 4-[(4-chlorophenyl)methyl]-1-(3-piperidin-1-ylpropanoyl)piperidine-4-carboxylate
CID 25488552

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate (CID 136528260) is ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate is CCOC(=O)C1(O)CCN(C(=O)CCOc2ccc(Cl)cc2)CC1.
What is the InChIKey of ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate?
The InChIKey is SMRVABPFNLAIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO5/c1-2-23-16(21)17(22)8-10-19(11-9-17)15(20)7-12-24-14-5-3-13(18)4-6-14/h3-6,22H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate?
ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate has a molecular weight of 355.82 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(4-chlorophenoxy)propanoyl]-4-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 136528260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).