N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride

C18H29ClN2O2 — CID 120576470

IUPACN-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(C)c1ccc(OCCC(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(2)15-6-8-16(9-7-15)22-12-10-18(21)20-17-5-4-11-19-14(17)3;/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,20,21);1H
InChIKeyGLUOOWYNOCQDIC-UHFFFAOYSA-N
MW340.89 g/mol
LogP3.26
Rot. Bonds6

About N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride

N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride (PubChem CID 120576470) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
PubChem CID120576470
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC NameN-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
SMILESCC(C)c1ccc(OCCC(=O)NC2CCCNC2C)cc1.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-13(2)15-6-8-16(9-7-15)22-12-10-18(21)20-17-5-4-11-19-14(17)3;/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,20,21);1H
InChIKeyGLUOOWYNOCQDIC-UHFFFAOYSA-N
XLogP3.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-5-(4-methylsulfonylphenoxy)pentanamide;hydrochloride
CID 120575876
3-(4-propan-2-ylphenoxy)-N-pyrrolidin-3-ylpropanamide
CID 119450421
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(4-bromophenoxy)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120575570
2-(4-methylphenoxy)-N-(2-methylpiperidin-3-yl)acetamide
CID 120576127
4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120575882
2-(4-propan-2-ylphenoxy)-N-[(1S,2R)-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]cyclohexyl]acetamide
CID 27870934
4-(3-methoxypropoxy)-N-(2-methylpiperidin-3-yl)benzamide
CID 120575755
N-(2-methylpiperidin-3-yl)-3-(2,3,5-trimethylphenoxy)propanamide
CID 120573443
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157
5-methoxy-N-(2-methylpiperidin-3-yl)pentanamide;hydrochloride
CID 120575880
4-(2-ethoxyphenoxy)-N-(2-methylpiperidin-3-yl)butanamide
CID 120576787

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride (CID 120576470) is N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride is CC(C)c1ccc(OCCC(=O)NC2CCCNC2C)cc1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
The InChIKey is GLUOOWYNOCQDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-13(2)15-6-8-16(9-7-15)22-12-10-18(21)20-17-5-4-11-19-14(17)3;/h6-9,13-14,17,19H,4-5,10-12H2,1-3H3,(H,20,21);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 120576470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).