N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride

C18H28ClN3O3 — CID 119383776

IUPACN-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCCN)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-13-10-15(18(23)20-7-6-19)11-14(2)17(13)24-12-16(22)21-8-4-3-5-9-21;/h10-11H,3-9,12,19H2,1-2H3,(H,20,23);1H
InChIKeyZEWDOLHKFJEIPF-UHFFFAOYSA-N
MW369.89 g/mol
LogP1.81
Rot. Bonds6

About N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride

N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride (PubChem CID 119383776) has the molecular formula C18H28ClN3O3 and a molecular weight of 369.89 g/mol. Its IUPAC name is N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
PubChem CID119383776
Molecular FormulaC18H28ClN3O3
Molecular Weight369.89 g/mol
Exact Mass369.18
IUPAC NameN-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
SMILESCc1cc(C(=O)NCCN)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H27N3O3.ClH/c1-13-10-15(18(23)20-7-6-19)11-14(2)17(13)24-12-16(22)21-8-4-3-5-9-21;/h10-11H,3-9,12,19H2,1-2H3,(H,20,23);1H
InChIKeyZEWDOLHKFJEIPF-UHFFFAOYSA-N
XLogP1.81
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.89
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535772
N-(5-amino-2-methylphenyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120569046
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426701
3-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]-methylamino]propanoic acid
CID 119362860
N-(2-aminoethyl)-1-[2-(2,6-dimethylphenoxy)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482262
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119401933
2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119490646
2-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 120808930
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120576930
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride (CID 119383776) is N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride is Cc1cc(C(=O)NCCN)cc(C)c1OCC(=O)N1CCCCC1.Cl.
What is the InChIKey of N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride?
The InChIKey is ZEWDOLHKFJEIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3.ClH/c1-13-10-15(18(23)20-7-6-19)11-14(2)17(13)24-12-16(22)21-8-4-3-5-9-21;/h10-11H,3-9,12,19H2,1-2H3,(H,20,23);1H.
What are the key properties of N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride?
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride is sourced from PubChem (CID 119383776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).