N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride

C17H27ClN2O2 — CID 120574067

IUPACN-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
SMILESCC(C)Oc1cccc(CC(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)21-15-7-4-6-14(10-15)11-17(20)19-16-8-5-9-18-13(16)3;/h4,6-7,10,12-13,16,18H,5,8-9,11H2,1-3H3,(H,19,20);1H
InChIKeyNARVQPNYVYIVDK-UHFFFAOYSA-N
MW326.87 g/mol
LogP2.69
Rot. Bonds5

About N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride

N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride (PubChem CID 120574067) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
PubChem CID120574067
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride
SMILESCC(C)Oc1cccc(CC(=O)NC2CCCNC2C)c1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12(2)21-15-7-4-6-14(10-15)11-17(20)19-16-8-5-9-18-13(16)3;/h4,6-7,10,12-13,16,18H,5,8-9,11H2,1-3H3,(H,19,20);1H
InChIKeyNARVQPNYVYIVDK-UHFFFAOYSA-N
XLogP2.69
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
3-(3-cyclopentyloxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577034
2-(3-fluorophenyl)-N-[2-[(2-methylpiperidin-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 120573514
N-(2-methylpiperidin-3-yl)-2-(3-nitrophenyl)acetamide
CID 114695003
2-(4-ethoxyphenyl)-N-(2-methylpiperidin-3-yl)acetamide;hydrochloride
CID 120573758
2-(3-fluorophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120576605
2-(3-bromophenoxy)-N-(2-methylpiperidin-3-yl)propanamide
CID 120577629
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
4-(3-acetylphenoxy)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120575882
4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229628
2-(2,3-difluorophenyl)-N-[(2S,3R)-2-methylpiperidin-3-yl]acetamide
CID 124517154
3-[4-(difluoromethoxy)phenyl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120574157

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride (CID 120574067) is N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride is CC(C)Oc1cccc(CC(=O)NC2CCCNC2C)c1.Cl.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
The InChIKey is NARVQPNYVYIVDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12(2)21-15-7-4-6-14(10-15)11-17(20)19-16-8-5-9-18-13(16)3;/h4,6-7,10,12-13,16,18H,5,8-9,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride?
N-(2-methylpiperidin-3-yl)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.69, 5 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)-2-(3-propan-2-yloxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120574067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).