[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate

C19H27NO3 — CID 3453266

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)N1C(C)CCCC1C)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-4-17(16-11-6-5-7-12-16)19(22)23-13-18(21)20-14(2)9-8-10-15(20)3/h5-7,11-12,14-15,17H,4,8-10,13H2,1-3H3
InChIKeyHSFSMAMJZRQHBZ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.51
Rot. Bonds5

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate (PubChem CID 3453266) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
PubChem CID3453266
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate
SMILESCCC(C(=O)OCC(=O)N1C(C)CCCC1C)c1ccccc1
InChIInChI=1S/C19H27NO3/c1-4-17(16-11-6-5-7-12-16)19(22)23-13-18(21)20-14(2)9-8-10-15(20)3/h5-7,11-12,14-15,17H,4,8-10,13H2,1-3H3
InChIKeyHSFSMAMJZRQHBZ-UHFFFAOYSA-N
XLogP3.51
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Adiphenine
CID 2031
Piperidolate
CID 4839
Piperidolate Hydrochloride
CID 8520
Butetamate
CID 27368
Adiphenine Hydrochloride
CID 5763
Drofenine hydrochloride
CID 92806
Drofenine
CID 3166
Dioxaphetyl Butyrate
CID 48194
Adiphenine methyl bromide
CID 197841
Valethamate
CID 5648
Pentapiperide
CID 110942
(3S,6R,9S,12R,15S,18R,21S,24R)-6,18-dibenzyl-3,9,15,21-tetraisobutyl-4,10,12,16,22,24-hexamethyl-1,7,13,19-tetraoxa-4,10,16,22-tetraazacyclo-tetracosane-2,5,8,11,14,17,20,23-octaone
CID 159590

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate (CID 3453266) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate is CCC(C(=O)OCC(=O)N1C(C)CCCC1C)c1ccccc1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate?
The InChIKey is HSFSMAMJZRQHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-4-17(16-11-6-5-7-12-16)19(22)23-13-18(21)20-14(2)9-8-10-15(20)3/h5-7,11-12,14-15,17H,4,8-10,13H2,1-3H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate has a molecular weight of 317.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2-phenylbutanoate is sourced from PubChem (CID 3453266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).