2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride

C20H30ClN3O3 — CID 119401933

IUPAC2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-15-12-17(20(25)23-10-6-21-7-11-23)13-16(2)19(15)26-14-18(24)22-8-4-3-5-9-22;/h12-13,21H,3-11,14H2,1-2H3;1H
InChIKeyINMVWGDNRDTHBH-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.16
Rot. Bonds4

About 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride

2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 119401933) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
PubChem CID119401933
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNCC2)cc(C)c1OCC(=O)N1CCCCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-15-12-17(20(25)23-10-6-21-7-11-23)13-16(2)19(15)26-14-18(24)22-8-4-3-5-9-22;/h12-13,21H,3-11,14H2,1-2H3;1H
InChIKeyINMVWGDNRDTHBH-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426701
2-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 120808930
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535772
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
2-(2,6-dimethyl-4-pyrrolidin-1-ylphenoxy)-1-pyrrolidin-1-ylethanone
CID 168515037
2-[[3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzoyl]amino]propanoic acid
CID 119349055
3,5-dimethyl-N-(2-methylpiperidin-3-yl)-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 120576930
2-(2,4,6-trimethylphenoxy)-1-[4-[2-(2,4,6-trimethylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 1281511
1-(1,4-diazepan-1-yl)-2-(2,5-dimethylphenoxy)ethanone;hydrochloride
CID 119417110

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride (CID 119401933) is 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride is Cc1cc(C(=O)N2CCNCC2)cc(C)c1OCC(=O)N1CCCCC1.Cl.
What is the InChIKey of 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is INMVWGDNRDTHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-15-12-17(20(25)23-10-6-21-7-11-23)13-16(2)19(15)26-14-18(24)22-8-4-3-5-9-22;/h12-13,21H,3-11,14H2,1-2H3;1H.
What are the key properties of 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119401933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).