N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide

C17H26N2O3 — CID 120555604

IUPACN-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C17H26N2O3/c1-3-10-21-14-4-6-15(7-5-14)22-12-17(20)19-16-8-9-18-11-13(16)2/h4-7,13,16,18H,3,8-12H2,1-2H3,(H,19,20)
InChIKeyJUNNGVJEXLJBDR-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.97
Rot. Bonds7

About N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide

N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide (PubChem CID 120555604) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
PubChem CID120555604
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(OCC(=O)NC2CCNCC2C)cc1
InChIInChI=1S/C17H26N2O3/c1-3-10-21-14-4-6-15(7-5-14)22-12-17(20)19-16-8-9-18-11-13(16)2/h4-7,13,16,18H,3,8-12H2,1-2H3,(H,19,20)
InChIKeyJUNNGVJEXLJBDR-UHFFFAOYSA-N
XLogP1.97
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
N-(3-methylpiperidin-4-yl)-4-oxo-4-(4-pentoxyphenyl)butanamide
CID 120553976
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 120556407
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
4-(4-ethoxyphenyl)-N-(3-methylpiperidin-4-yl)-4-oxobutanamide
CID 120555349
N-(4-methylpyrrolidin-3-yl)-2-phenoxyacetamide
CID 104826135
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120553278
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide (CID 120555604) is N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide is CCCOc1ccc(OCC(=O)NC2CCNCC2C)cc1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide?
The InChIKey is JUNNGVJEXLJBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-10-21-14-4-6-15(7-5-14)22-12-17(20)19-16-8-9-18-11-13(16)2/h4-7,13,16,18H,3,8-12H2,1-2H3,(H,19,20).
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide?
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide has a molecular weight of 306.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide is sourced from PubChem (CID 120555604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).