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

C21H32ClN3O3 — CID 119426701

IUPAC3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-15-11-17(21(26)23-18-7-6-8-22-13-18)12-16(2)20(15)27-14-19(25)24-9-4-3-5-10-24;/h11-12,18,22H,3-10,13-14H2,1-2H3,(H,23,26);1H
InChIKeyHMHAZURLBDXNFO-UHFFFAOYSA-N
MW409.96 g/mol
LogP2.60
Rot. Bonds5

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

3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119426701) has the molecular formula C21H32ClN3O3 and a molecular weight of 409.96 g/mol. Its IUPAC name is 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119426701
Molecular FormulaC21H32ClN3O3
Molecular Weight409.96 g/mol
Exact Mass409.21
IUPAC Name3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C21H31N3O3.ClH/c1-15-11-17(21(26)23-18-7-6-8-22-13-18)12-16(2)20(15)27-14-19(25)24-9-4-3-5-10-24;/h11-12,18,22H,3-10,13-14H2,1-2H3,(H,23,26);1H
InChIKeyHMHAZURLBDXNFO-UHFFFAOYSA-N
XLogP2.60
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.96
LogP ≤ 52.60
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
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120576930
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 120576931
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119401933
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 119490646
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055
N-(5-amino-2-methylphenyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120569046
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
3,5-dimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119424226

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride (CID 119426701) is 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride is Cc1cc(C(=O)NC2CCCNC2)cc(C)c1OCC(=O)N1CCCCC1.Cl.
What is the InChIKey of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is HMHAZURLBDXNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3.ClH/c1-15-11-17(21(26)23-18-7-6-8-22-13-18)12-16(2)20(15)27-14-19(25)24-9-4-3-5-10-24;/h11-12,18,22H,3-10,13-14H2,1-2H3,(H,23,26);1H.
What are the key properties of 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride?
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 409.96 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119426701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).