[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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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).