2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide

C17H35N3O3 — CID 142136650

IUPAC2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CN1CCC(N(CCO)CCCCO)CC1
InChIInChI=1S/C17H35N3O3/c1-3-8-18(2)17(23)15-19-10-6-16(7-11-19)20(12-14-22)9-4-5-13-21/h16,21-22H,3-15H2,1-2H3
InChIKeyBKQJLYTZHQQHMU-UHFFFAOYSA-N
MW329.49 g/mol
LogP0.39
Rot. Bonds11

About 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide

2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide (PubChem CID 142136650) has the molecular formula C17H35N3O3 and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide
PubChem CID142136650
Molecular FormulaC17H35N3O3
Molecular Weight329.49 g/mol
Exact Mass329.27
IUPAC Name2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide
SMILESCCCN(C)C(=O)CN1CCC(N(CCO)CCCCO)CC1
InChIInChI=1S/C17H35N3O3/c1-3-8-18(2)17(23)15-19-10-6-16(7-11-19)20(12-14-22)9-4-5-13-21/h16,21-22H,3-15H2,1-2H3
InChIKeyBKQJLYTZHQQHMU-UHFFFAOYSA-N
XLogP0.39
TPSA67.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 50.39
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 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide?
The IUPAC name of 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide (CID 142136650) is 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide.
What is the SMILES notation for 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide?
The canonical SMILES for 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide is CCCN(C)C(=O)CN1CCC(N(CCO)CCCCO)CC1.
What is the InChIKey of 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide?
The InChIKey is BKQJLYTZHQQHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O3/c1-3-8-18(2)17(23)15-19-10-6-16(7-11-19)20(12-14-22)9-4-5-13-21/h16,21-22H,3-15H2,1-2H3.
What are the key properties of 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide?
2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide has a molecular weight of 329.49 g/mol, XLogP of 0.39, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-hydroxybutyl(2-hydroxyethyl)amino]piperidin-1-yl]-N-methyl-N-propylacetamide is sourced from PubChem (CID 142136650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).