N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide

C18H28N2O2 — CID 120597993

IUPACN-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-12-9-13(2)15(4)17(10-12)22-8-6-18(21)20-16-5-7-19-14(3)11-16/h9-10,14,16,19H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyMQLHGBFJIMLTTI-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.64
Rot. Bonds5

About N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide

N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 120597993) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
PubChem CID120597993
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cc(C)c(C)c(OCCC(=O)NC2CCNC(C)C2)c1
InChIInChI=1S/C18H28N2O2/c1-12-9-13(2)15(4)17(10-12)22-8-6-18(21)20-16-5-7-19-14(3)11-16/h9-10,14,16,19H,5-8,11H2,1-4H3,(H,20,21)
InChIKeyMQLHGBFJIMLTTI-UHFFFAOYSA-N
XLogP2.64
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443
3-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)propanamide
CID 120597846
3-(2,4-dimethylphenyl)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601203
3-(4-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120598284
4-(3,4-dimethylphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120602231
5-(3-methylphenoxy)-N-(2-methylpiperidin-4-yl)pentanamide
CID 120600867
N-(2-methylpiperidin-4-yl)-3-(2-nitrophenoxy)propanamide;hydrochloride
CID 120601482
4-(2,4-dichlorophenoxy)-N-(2-methylpiperidin-4-yl)butanamide;hydrochloride
CID 120600169
3-(2,3,5-trimethylphenoxy)propanehydrazide
CID 63575558
N-(2-methylpiperidin-4-yl)-3-(3,4,5-trimethoxyphenyl)propanamide
CID 120602634
4-(4-acetyl-2-methoxyphenoxy)-N-(2-methylpiperidin-4-yl)butanamide
CID 120601904
N-(2-pyrrolidin-3-ylethyl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 119534432

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide (CID 120597993) is N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide is Cc1cc(C)c(C)c(OCCC(=O)NC2CCNC(C)C2)c1.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is MQLHGBFJIMLTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12-9-13(2)15(4)17(10-12)22-8-6-18(21)20-16-5-7-19-14(3)11-16/h9-10,14,16,19H,5-8,11H2,1-4H3,(H,20,21).
What are the key properties of N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide?
N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 304.43 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-3-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 120597993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).