4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane

C23H38N2O4 — CID 177357429

IUPAC4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane
SMILESCC.CC(=O)C1CCN(c2ccc(C(=O)NCCOCCOC(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O4.C2H6/c1-16(2)27-15-14-26-13-10-22-21(25)19-4-6-20(7-5-19)23-11-8-18(9-12-23)17(3)24;1-2/h4-7,16,18H,8-15H2,1-3H3,(H,22,25);1-2H3
InChIKeyYZWUOEQNPQIUDC-UHFFFAOYSA-N
MW406.57 g/mol
LogP3.69
Rot. Bonds10

About 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane

4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane (PubChem CID 177357429) has the molecular formula C23H38N2O4 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane.

Molecular Properties

Compound Name4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane
PubChem CID177357429
Molecular FormulaC23H38N2O4
Molecular Weight406.57 g/mol
Exact Mass406.28
IUPAC Name4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane
SMILESCC.CC(=O)C1CCN(c2ccc(C(=O)NCCOCCOC(C)C)cc2)CC1
InChIInChI=1S/C21H32N2O4.C2H6/c1-16(2)27-15-14-26-13-10-22-21(25)19-4-6-20(7-5-19)23-11-8-18(9-12-23)17(3)24;1-2/h4-7,16,18H,8-15H2,1-3H3,(H,22,25);1-2H3
InChIKeyYZWUOEQNPQIUDC-UHFFFAOYSA-N
XLogP3.69
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-4-(4-propanoylpiperidin-1-yl)benzamide
CID 178082826
N-[2-(2-methoxyethoxy)ethyl]-1-(4-propanoylphenyl)piperidine-4-carboxamide
CID 178082896
1-phenyl-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17152501
4-(4-hydroxypiperidin-1-yl)-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 111464649
4-(2-oxopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)benzamide
CID 110416590
1-(3-chlorophenyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 17153129
N-(3-aminopropyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 119408955
N-[2-[2-(1-acetylpyrrolidin-3-yl)oxyethoxy]ethyl]-4-butan-2-ylbenzamide
CID 59979845
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
N-[2-(diethylamino)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 168514573
N-[(2-hydroxycyclopentyl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 111464001
1-benzoyl-N-(2-propan-2-yloxyethyl)piperidine-4-carboxamide
CID 110416664

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane?
The IUPAC name of 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane (CID 177357429) is 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane.
What is the SMILES notation for 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane?
The canonical SMILES for 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane is CC.CC(=O)C1CCN(c2ccc(C(=O)NCCOCCOC(C)C)cc2)CC1.
What is the InChIKey of 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane?
The InChIKey is YZWUOEQNPQIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4.C2H6/c1-16(2)27-15-14-26-13-10-22-21(25)19-4-6-20(7-5-19)23-11-8-18(9-12-23)17(3)24;1-2/h4-7,16,18H,8-15H2,1-3H3,(H,22,25);1-2H3.
What are the key properties of 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane?
4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane has a molecular weight of 406.57 g/mol, XLogP of 3.69, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperidin-1-yl)-N-[2-(2-propan-2-yloxyethoxy)ethyl]benzamide;ethane is sourced from PubChem (CID 177357429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).