N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

C19H32ClN3O2 — CID 119920408

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-15-10-16(2)12-18(11-15)24-9-8-21(4)19(23)14-22-7-5-6-17(13-22)20-3;/h10-12,17,20H,5-9,13-14H2,1-4H3;1H
InChIKeyWSISTGJQSNKLAQ-UHFFFAOYSA-N
MW369.94 g/mol
LogP2.25
Rot. Bonds7

About N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (PubChem CID 119920408) has the molecular formula C19H32ClN3O2 and a molecular weight of 369.94 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
PubChem CID119920408
Molecular FormulaC19H32ClN3O2
Molecular Weight369.94 g/mol
Exact Mass369.22
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
SMILESCNC1CCCN(CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1.Cl
InChIInChI=1S/C19H31N3O2.ClH/c1-15-10-16(2)12-18(11-15)24-9-8-21(4)19(23)14-22-7-5-6-17(13-22)20-3;/h10-12,17,20H,5-9,13-14H2,1-4H3;1H
InChIKeyWSISTGJQSNKLAQ-UHFFFAOYSA-N
XLogP2.25
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide;hydrochloride
CID 119907050
N-[2-(3,5-dimethylphenoxy)ethyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 110020096
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920388
N-methyl-2-[3-(methylamino)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 62546349
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920048
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119918913
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[(2-bromophenyl)methyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919983
N-cyclopropyl-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62546013
N-[2-(4-chloro-3-methylphenoxy)ethyl]-N-methyl-2-pyrrolidin-1-ylacetamide
CID 11971594
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
2-[[2-[3-(methylamino)piperidin-1-yl]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 119918211

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride (CID 119920408) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is CNC1CCCN(CC(=O)N(C)CCOc2cc(C)cc(C)c2)C1.Cl.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
The InChIKey is WSISTGJQSNKLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2.ClH/c1-15-10-16(2)12-18(11-15)24-9-8-21(4)19(23)14-22-7-5-6-17(13-22)20-3;/h10-12,17,20H,5-9,13-14H2,1-4H3;1H.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 119920408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).