2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride

C22H34ClN3O3 — CID 119490646

IUPAC2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-16-12-18(22(27)25-11-7-8-19(14-25)23-3)13-17(2)21(16)28-15-20(26)24-9-5-4-6-10-24;/h12-13,19,23H,4-11,14-15H2,1-3H3;1H
InChIKeyODBNXFUTDYVVSL-UHFFFAOYSA-N
MW423.99 g/mol
LogP2.94
Rot. Bonds5

About 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride

2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride (PubChem CID 119490646) has the molecular formula C22H34ClN3O3 and a molecular weight of 423.99 g/mol. Its IUPAC name is 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
PubChem CID119490646
Molecular FormulaC22H34ClN3O3
Molecular Weight423.99 g/mol
Exact Mass423.23
IUPAC Name2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride
SMILESCNC1CCCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1.Cl
InChIInChI=1S/C22H33N3O3.ClH/c1-16-12-18(22(27)25-11-7-8-19(14-25)23-3)13-17(2)21(16)28-15-20(26)24-9-5-4-6-10-24;/h12-13,19,23H,4-11,14-15H2,1-3H3;1H
InChIKeyODBNXFUTDYVVSL-UHFFFAOYSA-N
XLogP2.94
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.99
LogP ≤ 52.94
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;hydrochloride
CID 119401933
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
2-[4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,6-dimethylphenoxy]-1-piperidin-1-ylethanone;hydrochloride
CID 120808930
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426701
(3,5-dimethoxy-4-methylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493630
N-(2-aminoethyl)-3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide;hydrochloride
CID 119383776
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
3,5-dimethyl-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535772
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
1-[3-(methylamino)piperidin-1-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyethanone;hydrochloride
CID 119492345
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
The IUPAC name of 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride (CID 119490646) is 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride.
What is the SMILES notation for 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
The canonical SMILES for 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride is CNC1CCCN(C(=O)c2cc(C)c(OCC(=O)N3CCCCC3)c(C)c2)C1.Cl.
What is the InChIKey of 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
The InChIKey is ODBNXFUTDYVVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O3.ClH/c1-16-12-18(22(27)25-11-7-8-19(14-25)23-3)13-17(2)21(16)28-15-20(26)24-9-5-4-6-10-24;/h12-13,19,23H,4-11,14-15H2,1-3H3;1H.
What are the key properties of 2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride?
2-[2,6-dimethyl-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride has a molecular weight of 423.99 g/mol, XLogP of 2.94, 5 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-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-1-piperidin-1-ylethanone;hydrochloride is sourced from PubChem (CID 119490646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).