[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

C23H28N2O4 — CID 7603115

IUPAC[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1NCCO
InChIInChI=1S/C23H28N2O4/c26-15-12-24-21-9-5-4-8-20(21)23(28)29-17-22(27)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19,24,26H,10-17H2
InChIKeyVRFXYVLOKHVPNV-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.73
Rot. Bonds8

About [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate

[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (PubChem CID 7603115) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.

Molecular Properties

Compound Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
PubChem CID7603115
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
SMILESO=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1NCCO
InChIInChI=1S/C23H28N2O4/c26-15-12-24-21-9-5-4-8-20(21)23(28)29-17-22(27)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19,24,26H,10-17H2
InChIKeyVRFXYVLOKHVPNV-UHFFFAOYSA-N
XLogP2.73
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]amino]benzoate
CID 109032522
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 4-phenylbenzoate
CID 23827029
[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 7603315
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] pyridine-4-carboxylate
CID 2350843
1-(4-benzylpiperidin-1-yl)-2-[2-[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]ethoxy]ethoxy]ethanone
CID 21053636
methyl 2-[[3-(4-benzylpiperidin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108952167
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-methyl-3-nitrobenzoate
CID 2095975
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 2589438
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2338180
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-amino-4-methylbenzoate
CID 2340416
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2571742
[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate
CID 24653005

Frequently Asked Questions

What is the IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The IUPAC name of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate (CID 7603115) is [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate.
What is the SMILES notation for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The canonical SMILES for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1NCCO.
What is the InChIKey of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
The InChIKey is VRFXYVLOKHVPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c26-15-12-24-21-9-5-4-8-20(21)23(28)29-17-22(27)25-13-10-19(11-14-25)16-18-6-2-1-3-7-18/h1-9,19,24,26H,10-17H2.
What are the key properties of [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate?
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate has a molecular weight of 396.49 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-hydroxyethylamino)benzoate is sourced from PubChem (CID 7603115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).