N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide

C21H32N2O5 — CID 138048713

IUPACN-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)NCC1(O)CCN(C(=O)c2cccc(C)c2C)CC1
InChIInChI=1S/C21H32N2O5/c1-15-6-5-7-18(16(15)2)20(25)23-10-8-21(26,9-11-23)14-22-19(24)17(3)28-13-12-27-4/h5-7,17,26H,8-14H2,1-4H3,(H,22,24)
InChIKeyNPIXNJPCGJZDEE-UHFFFAOYSA-N
MW392.50 g/mol
LogP1.44
Rot. Bonds8

About N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide

N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide (PubChem CID 138048713) has the molecular formula C21H32N2O5 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide.

Molecular Properties

Compound NameN-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide
PubChem CID138048713
Molecular FormulaC21H32N2O5
Molecular Weight392.50 g/mol
Exact Mass392.23
IUPAC NameN-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide
SMILESCOCCOC(C)C(=O)NCC1(O)CCN(C(=O)c2cccc(C)c2C)CC1
InChIInChI=1S/C21H32N2O5/c1-15-6-5-7-18(16(15)2)20(25)23-10-8-21(26,9-11-23)14-22-19(24)17(3)28-13-12-27-4/h5-7,17,26H,8-14H2,1-4H3,(H,22,24)
InChIKeyNPIXNJPCGJZDEE-UHFFFAOYSA-N
XLogP1.44
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide?
The IUPAC name of N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide (CID 138048713) is N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide.
What is the SMILES notation for N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide?
The canonical SMILES for N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide is COCCOC(C)C(=O)NCC1(O)CCN(C(=O)c2cccc(C)c2C)CC1.
What is the InChIKey of N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide?
The InChIKey is NPIXNJPCGJZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O5/c1-15-6-5-7-18(16(15)2)20(25)23-10-8-21(26,9-11-23)14-22-19(24)17(3)28-13-12-27-4/h5-7,17,26H,8-14H2,1-4H3,(H,22,24).
What are the key properties of N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide?
N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide has a molecular weight of 392.50 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dimethylbenzoyl)-4-hydroxypiperidin-4-yl]methyl]-2-(2-methoxyethoxy)propanamide is sourced from PubChem (CID 138048713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).