2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide

C17H26N2O3 — CID 120556674

IUPAC2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
SMILESCOc1cccc(COC(C)C(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H26N2O3/c1-12-10-18-8-7-16(12)19-17(20)13(2)22-11-14-5-4-6-15(9-14)21-3/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3,(H,19,20)
InChIKeySJOBDFNQXDNDNL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.71
Rot. Bonds6

About 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide

2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120556674) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120556674
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide
SMILESCOc1cccc(COC(C)C(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H26N2O3/c1-12-10-18-8-7-16(12)19-17(20)13(2)22-11-14-5-4-6-15(9-14)21-3/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3,(H,19,20)
InChIKeySJOBDFNQXDNDNL-UHFFFAOYSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide (CID 120556674) is 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide is COc1cccc(COC(C)C(=O)NC2CCNCC2C)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is SJOBDFNQXDNDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-10-18-8-7-16(12)19-17(20)13(2)22-11-14-5-4-6-15(9-14)21-3/h4-6,9,12-13,16,18H,7-8,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide?
2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 306.41 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120556674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).