3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide

C17H26N2O2 — CID 120597846

IUPAC3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(OCCC(=O)NC2CCNC(C)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-4-5-16(10-13(12)2)21-9-7-17(20)19-15-6-8-18-14(3)11-15/h4-5,10,14-15,18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyMDWWWNLSSLQMLY-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.33
Rot. Bonds5

About 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide

3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide (PubChem CID 120597846) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
PubChem CID120597846
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
SMILESCc1ccc(OCCC(=O)NC2CCNC(C)C2)cc1C
InChIInChI=1S/C17H26N2O2/c1-12-4-5-16(10-13(12)2)21-9-7-17(20)19-15-6-8-18-14(3)11-15/h4-5,10,14-15,18H,6-9,11H2,1-3H3,(H,19,20)
InChIKeyMDWWWNLSSLQMLY-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120597993
2-(3,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)acetamide
CID 106995354
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
3-(3,4-dimethylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514495
4-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120601539
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
3-(3,4-dimethoxyphenyl)sulfanyl-N-(2-methylpiperidin-4-yl)propanamide
CID 120598164
3-methoxy-4-methyl-N-(2-methylpiperidin-4-yl)benzamide
CID 106995084
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 120601482

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide (CID 120597846) is 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide is Cc1ccc(OCCC(=O)NC2CCNC(C)C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide?
The InChIKey is MDWWWNLSSLQMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-4-5-16(10-13(12)2)21-9-7-17(20)19-15-6-8-18-14(3)11-15/h4-5,10,14-15,18H,6-9,11H2,1-3H3,(H,19,20).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide?
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 120597846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).