N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide

C20H28N2O3 — CID 71983019

IUPACN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(14-18-7-4-12-25-18)21-15-20(24)22-10-8-17(9-11-22)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,21,23)
InChIKeyPXUOYWCFXKNABL-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.15
Rot. Bonds6

About N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide (PubChem CID 71983019) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
PubChem CID71983019
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H28N2O3/c23-19(14-18-7-4-12-25-18)21-15-20(24)22-10-8-17(9-11-22)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,21,23)
InChIKeyPXUOYWCFXKNABL-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111749796
2-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 60848653
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119778235
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-amino-N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119320484
(4-benzylpiperidin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 40606305
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
1-(4-benzylpiperidin-1-yl)-2-(cyclohexylamino)ethanone
CID 108993605
3-(4-benzylpiperidin-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108940852
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 167872290
1-(4-benzylpiperidin-1-yl)-2-[(2-fluorophenyl)methylamino]ethanone
CID 108997532
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523991

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide (CID 71983019) is N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is PXUOYWCFXKNABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(14-18-7-4-12-25-18)21-15-20(24)22-10-8-17(9-11-22)13-16-5-2-1-3-6-16/h1-3,5-6,17-18H,4,7-15H2,(H,21,23).
What are the key properties of N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide?
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 344.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 71983019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).