N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide

C22H42N4O3 — CID 11941260

IUPACN-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide
SMILESCC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)N(CC)C(=O)NCCCN(C)C
InChIInChI=1S/C22H42N4O3/c1-8-17-16-25(20(28)22(3,4)5)14-11-18(17)15-19(27)26(9-2)21(29)23-12-10-13-24(6)7/h17-18H,8-16H2,1-7H3,(H,23,29)/t17-,18-/m0/s1
InChIKeyGQINNDXFQILWCT-ROUUACIJSA-N
MW410.60 g/mol
LogP2.81
Rot. Bonds8

About N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide

N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide (PubChem CID 11941260) has the molecular formula C22H42N4O3 and a molecular weight of 410.60 g/mol. Its IUPAC name is N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide
PubChem CID11941260
Molecular FormulaC22H42N4O3
Molecular Weight410.60 g/mol
Exact Mass410.33
IUPAC NameN-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide
SMILESCC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)N(CC)C(=O)NCCCN(C)C
InChIInChI=1S/C22H42N4O3/c1-8-17-16-25(20(28)22(3,4)5)14-11-18(17)15-19(27)26(9-2)21(29)23-12-10-13-24(6)7/h17-18H,8-16H2,1-7H3,(H,23,29)/t17-,18-/m0/s1
InChIKeyGQINNDXFQILWCT-ROUUACIJSA-N
XLogP2.81
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide 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-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide?
The IUPAC name of N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide (CID 11941260) is N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide.
What is the SMILES notation for N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide?
The canonical SMILES for N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide is CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)N(CC)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide?
The InChIKey is GQINNDXFQILWCT-ROUUACIJSA-N. The full InChI is InChI=1S/C22H42N4O3/c1-8-17-16-25(20(28)22(3,4)5)14-11-18(17)15-19(27)26(9-2)21(29)23-12-10-13-24(6)7/h17-18H,8-16H2,1-7H3,(H,23,29)/t17-,18-/m0/s1.
What are the key properties of N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide?
N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide has a molecular weight of 410.60 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propylcarbamoyl]-2-[(3R,4S)-1-(2,2-dimethylpropanoyl)-3-ethylpiperidin-4-yl]-N-ethylacetamide is sourced from PubChem (CID 11941260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).