3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide

C17H26N2O2 — CID 120553278

IUPAC3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H26N2O2/c1-12-8-13(2)10-15(9-12)21-7-5-17(20)19-16-4-6-18-11-14(16)3/h8-10,14,16,18H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyGWAGPALBFMRYDD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds5

About 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide

3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide (PubChem CID 120553278) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
PubChem CID120553278
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC2CCNCC2C)c1
InChIInChI=1S/C17H26N2O2/c1-12-8-13(2)10-15(9-12)21-7-5-17(20)19-16-4-6-18-11-14(16)3/h8-10,14,16,18H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyGWAGPALBFMRYDD-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
N-(3-methylpiperidin-4-yl)-3-phenoxypropanamide
CID 79886279
3-(4-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120554554
N-(3-methylpiperidin-4-yl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 120556092
3-[3-[(3-methylpiperidin-4-yl)amino]-3-oxopropoxy]benzamide;hydrochloride
CID 120557025
4-(4-methoxyphenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120555351
3-(2-chlorophenoxy)-N-(3-methylpiperidin-4-yl)propanamide
CID 120556122
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
4-(3-bromophenoxy)-N-(3-methylpiperidin-4-yl)butanamide
CID 120554975
3-(3,5-dimethylphenoxy)-N-(6-oxopiperidin-3-yl)propanamide
CID 62898121
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604
N-(3-methylpiperidin-4-yl)-3-phenylmethoxypropanamide
CID 120554516

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide (CID 120553278) is 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide is Cc1cc(C)cc(OCCC(=O)NC2CCNCC2C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
The InChIKey is GWAGPALBFMRYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-8-13(2)10-15(9-12)21-7-5-17(20)19-16-4-6-18-11-14(16)3/h8-10,14,16,18H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide?
3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120553278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).