N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide

C17H24N2O3 — CID 2495335

IUPACN-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12-7-13(2)10-19(9-12)17(21)11-22-16-6-4-5-15(8-16)18-14(3)20/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyWPQLPXTVNGPRRS-CHWSQXEVSA-N
MW304.39 g/mol
LogP2.53
Rot. Bonds4

About N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide

N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide (PubChem CID 2495335) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
PubChem CID2495335
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide
SMILESCC(=O)Nc1cccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1
InChIInChI=1S/C17H24N2O3/c1-12-7-13(2)10-19(9-12)17(21)11-22-16-6-4-5-15(8-16)18-14(3)20/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,20)/t12-,13-/m1/s1
InChIKeyWPQLPXTVNGPRRS-CHWSQXEVSA-N
XLogP2.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[2-oxo-2-(4-oxopiperidin-1-yl)ethoxy]phenyl]acetamide
CID 62030068
methyl 3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoate
CID 112786430
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(3-methylsulfonylphenoxy)ethanone
CID 94140358
N-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]acetamide
CID 7697869
methyl N-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]carbamate
CID 47059933
2-methyl-N-[3-(2-oxo-2-piperidin-1-ylethoxy)phenyl]propanamide
CID 18870129
N-[3-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethoxy]phenyl]acetamide
CID 7697850
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3-(carbamoylamino)benzoate
CID 8804135
1-[2-(3-bromophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119572
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 112775488
2-methyl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]pent-2-enamide
CID 76868356

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide (CID 2495335) is N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide is CC(=O)Nc1cccc(OCC(=O)N2C[C@H](C)C[C@@H](C)C2)c1.
What is the InChIKey of N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide?
The InChIKey is WPQLPXTVNGPRRS-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-7-13(2)10-19(9-12)17(21)11-22-16-6-4-5-15(8-16)18-14(3)20/h4-6,8,12-13H,7,9-11H2,1-3H3,(H,18,20)/t12-,13-/m1/s1.
What are the key properties of N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide?
N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide has a molecular weight of 304.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]acetamide is sourced from PubChem (CID 2495335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).