ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride

C18H26ClNO3 — CID 138398169

IUPACethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(C)=O)CC1.Cl
InChIInChI=1S/C18H25NO3.ClH/c1-3-22-17(21)18(16-7-5-4-6-8-16)10-13-19(14-11-18)12-9-15(2)20;/h4-8H,3,9-14H2,1-2H3;1H
InChIKeyOWBPFWBYDKXVLI-UHFFFAOYSA-N
MW339.86 g/mol
LogP2.98
Rot. Bonds6

About ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride

ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride (PubChem CID 138398169) has the molecular formula C18H26ClNO3 and a molecular weight of 339.86 g/mol. Its IUPAC name is ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
PubChem CID138398169
Molecular FormulaC18H26ClNO3
Molecular Weight339.86 g/mol
Exact Mass339.16
IUPAC Nameethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(C)=O)CC1.Cl
InChIInChI=1S/C18H25NO3.ClH/c1-3-22-17(21)18(16-7-5-4-6-8-16)10-13-19(14-11-18)12-9-15(2)20;/h4-8H,3,9-14H2,1-2H3;1H
InChIKeyOWBPFWBYDKXVLI-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.86
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
ethyl 1-[3-(3-bromo-4-methylanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90485325
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 7357281
ethyl 1-(4-aminophenyl)-4-phenylpiperidine-4-carboxylate;dihydrochloride
CID 23619800
ethyl 1-[3-(3-bromoanilino)-3-oxopropyl]-4-phenylpiperidine-4-carboxylate chloride
CID 53352949
ethyl 1-[2-(dimethylamino)-2-phenylethyl]-4-phenylpiperidine-4-carboxylate
CID 26013
ethyl 1-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 126478028
ethyl 1-(2-morpholin-2-ylethyl)-4-phenylpiperidine-4-carboxylate
CID 20833920
ethyl 4-phenyl-1-(1-phenylcyclohexyl)piperidine-4-carboxylate;hydrobromide
CID 138396780

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride?
The IUPAC name of ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride (CID 138398169) is ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride is CCOC(=O)C1(c2ccccc2)CCN(CCC(C)=O)CC1.Cl.
What is the InChIKey of ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride?
The InChIKey is OWBPFWBYDKXVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3.ClH/c1-3-22-17(21)18(16-7-5-4-6-8-16)10-13-19(14-11-18)12-9-15(2)20;/h4-8H,3,9-14H2,1-2H3;1H.
What are the key properties of ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride?
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride has a molecular weight of 339.86 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 138398169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).