1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone

C22H33N3O3 — CID 119560215

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
SMILESCNC1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
InChIInChI=1S/C22H33N3O3/c1-16-5-4-6-17(2)25(16)21(26)15-28-20-9-7-18(8-10-20)22(27)24-13-11-19(23-3)12-14-24/h7-10,16-17,19,23H,4-6,11-15H2,1-3H3
InChIKeyMILTZDUTDWLMNW-UHFFFAOYSA-N
MW387.52 g/mol
LogP2.68
Rot. Bonds5

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone (PubChem CID 119560215) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
PubChem CID119560215
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
SMILESCNC1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1
InChIInChI=1S/C22H33N3O3/c1-16-5-4-6-17(2)25(16)21(26)15-28-20-9-7-18(8-10-20)22(27)24-13-11-19(23-3)12-14-24/h7-10,16-17,19,23H,4-6,11-15H2,1-3H3
InChIKeyMILTZDUTDWLMNW-UHFFFAOYSA-N
XLogP2.68
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214
2-[4-(4-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119373285
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
CID 55339075
1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921603
2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 119377667
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55809921
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55931246
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenoxy]ethanone
CID 95567886
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]benzamide
CID 56568935
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]pyrrolidine-2-carboxamide
CID 71898935

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone (CID 119560215) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone is CNC1CCN(C(=O)c2ccc(OCC(=O)N3C(C)CCCC3C)cc2)CC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone?
The InChIKey is MILTZDUTDWLMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-16-5-4-6-17(2)25(16)21(26)15-28-20-9-7-18(8-10-20)22(27)24-13-11-19(23-3)12-14-24/h7-10,16-17,19,23H,4-6,11-15H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone has a molecular weight of 387.52 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone is sourced from PubChem (CID 119560215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).