N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide

C19H38N2O2 — CID 90944255

IUPACN-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(CC)C1(OC(C)C)CCN(C)CC1
InChIInChI=1S/C19H38N2O2/c1-7-10-17(11-8-2)18(22)21(9-3)19(23-16(4)5)12-14-20(6)15-13-19/h16-17H,7-15H2,1-6H3
InChIKeyWFNQAGRJTXYRJN-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.90
Rot. Bonds9

About N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide

N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide (PubChem CID 90944255) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide.

Molecular Properties

Compound NameN-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide
PubChem CID90944255
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)N(CC)C1(OC(C)C)CCN(C)CC1
InChIInChI=1S/C19H38N2O2/c1-7-10-17(11-8-2)18(22)21(9-3)19(23-16(4)5)12-14-20(6)15-13-19/h16-17H,7-15H2,1-6H3
InChIKeyWFNQAGRJTXYRJN-UHFFFAOYSA-N
XLogP3.90
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide?
The IUPAC name of N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide (CID 90944255) is N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide.
What is the SMILES notation for N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide?
The canonical SMILES for N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide is CCCC(CCC)C(=O)N(CC)C1(OC(C)C)CCN(C)CC1.
What is the InChIKey of N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide?
The InChIKey is WFNQAGRJTXYRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-7-10-17(11-8-2)18(22)21(9-3)19(23-16(4)5)12-14-20(6)15-13-19/h16-17H,7-15H2,1-6H3.
What are the key properties of N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide?
N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide has a molecular weight of 326.53 g/mol, XLogP of 3.90, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-methyl-4-propan-2-yloxypiperidin-4-yl)-2-propylpentanamide is sourced from PubChem (CID 90944255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).