3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide

C17H23N3O3 — CID 125436263

IUPAC3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide
SMILESCc1cccc(C)c1OC1CN(C(=O)N[C@@H]2CCCNC2=O)C1
InChIInChI=1S/C17H23N3O3/c1-11-5-3-6-12(2)15(11)23-13-9-20(10-13)17(22)19-14-7-4-8-18-16(14)21/h3,5-6,13-14H,4,7-10H2,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyHOGWTIAGRJOJHK-CQSZACIVSA-N
MW317.39 g/mol
LogP1.35
Rot. Bonds3

About 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide

3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide (PubChem CID 125436263) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide
PubChem CID125436263
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide
SMILESCc1cccc(C)c1OC1CN(C(=O)N[C@@H]2CCCNC2=O)C1
InChIInChI=1S/C17H23N3O3/c1-11-5-3-6-12(2)15(11)23-13-9-20(10-13)17(22)19-14-7-4-8-18-16(14)21/h3,5-6,13-14H,4,7-10H2,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKeyHOGWTIAGRJOJHK-CQSZACIVSA-N
XLogP1.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide with MolForge

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]acetamide
CID 94219466
(3R)-1-[(2-oxopiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120603
(2S)-2-benzyl-N-[(3R)-2-oxoazepan-3-yl]morpholine-4-carboxamide
CID 124616348
4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 122556803
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 79382968
2-[3-methyl-1-[(2-oxopiperidin-3-yl)carbamoyl]azetidin-3-yl]oxyacetic acid
CID 102658847
3-(2,6-dimethylphenoxy)-N-[3-(2-methoxyethoxy)phenyl]azetidine-1-carboxamide
CID 72904447
(3S)-4-benzoyl-3-N-[(3S)-2-oxopiperidin-3-yl]-1-N-propan-2-ylpiperazine-1,3-dicarboxamide
CID 7682191
5-fluoro-N-(2-oxoazepan-3-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 138994211
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide (CID 125436263) is 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide is Cc1cccc(C)c1OC1CN(C(=O)N[C@@H]2CCCNC2=O)C1.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide?
The InChIKey is HOGWTIAGRJOJHK-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-5-3-6-12(2)15(11)23-13-9-20(10-13)17(22)19-14-7-4-8-18-16(14)21/h3,5-6,13-14H,4,7-10H2,1-2H3,(H,18,21)(H,19,22)/t14-/m1/s1.
What are the key properties of 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide?
3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-[(3R)-2-oxopiperidin-3-yl]azetidine-1-carboxamide is sourced from PubChem (CID 125436263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).