N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride

C18H29ClN2O2 — CID 120554661

IUPACN-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12(2)15-6-5-13(3)9-17(15)22-11-18(21)20-16-7-8-19-10-14(16)4;/h5-6,9,12,14,16,19H,7-8,10-11H2,1-4H3,(H,20,21);1H
InChIKeyCSIFMFAUOFVPEK-UHFFFAOYSA-N
MW340.90 g/mol
LogP3.03
Rot. Bonds5

About N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride

N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride (PubChem CID 120554661) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.90 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
PubChem CID120554661
Molecular FormulaC18H29ClN2O2
Molecular Weight340.90 g/mol
Exact Mass340.19
IUPAC NameN-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(C(C)C)c(OCC(=O)NC2CCNCC2C)c1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-12(2)15-6-5-13(3)9-17(15)22-11-18(21)20-16-7-8-19-10-14(16)4;/h5-6,9,12,14,16,19H,7-8,10-11H2,1-4H3,(H,20,21);1H
InChIKeyCSIFMFAUOFVPEK-UHFFFAOYSA-N
XLogP3.03
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120555880
2-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556862
N-cyclohexyl-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 94840112
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78767495
N-(3-methylpiperidin-4-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 120556407
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
2-(2,5-dimethylphenoxy)-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119452617
2-(2-ethylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557733
2-(2-tert-butylphenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120556447
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511055
3-(3-methylphenoxy)-N-(3-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120557730
N-(3-methylpiperidin-4-yl)-2-(4-propoxyphenoxy)acetamide
CID 120555604

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride (CID 120554661) is N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride is Cc1ccc(C(C)C)c(OCC(=O)NC2CCNCC2C)c1.Cl.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride?
The InChIKey is CSIFMFAUOFVPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-12(2)15-6-5-13(3)9-17(15)22-11-18(21)20-16-7-8-19-10-14(16)4;/h5-6,9,12,14,16,19H,7-8,10-11H2,1-4H3,(H,20,21);1H.
What are the key properties of N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride?
N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride has a molecular weight of 340.90 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 120554661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).