[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone

C25H40N2O3 — CID 25303632

IUPAC[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@H]1CCCCN1C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C25H40N2O3/c1-25(2,3)19-26-15-11-22(12-16-26)30-23-10-7-8-20(18-23)24(28)27-14-6-5-9-21(27)13-17-29-4/h7-8,10,18,21-22H,5-6,9,11-17,19H2,1-4H3/t21-/m1/s1
InChIKeyIDCLNXBOTFHVLF-OAQYLSRUSA-N
MW416.61 g/mol
LogP4.61
Rot. Bonds7

About [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone

[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 25303632) has the molecular formula C25H40N2O3 and a molecular weight of 416.61 g/mol. Its IUPAC name is [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID25303632
Molecular FormulaC25H40N2O3
Molecular Weight416.61 g/mol
Exact Mass416.30
IUPAC Name[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCC[C@H]1CCCCN1C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1
InChIInChI=1S/C25H40N2O3/c1-25(2,3)19-26-15-11-22(12-16-26)30-23-10-7-8-20(18-23)24(28)27-14-6-5-9-21(27)13-17-29-4/h7-8,10,18,21-22H,5-6,9,11-17,19H2,1-4H3/t21-/m1/s1
InChIKeyIDCLNXBOTFHVLF-OAQYLSRUSA-N
XLogP4.61
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.61
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42343229
[3-(3-hydroxy-3-methylbutyl)phenyl]-[2-(2-methoxyethyl)piperidin-1-yl]methanone
CID 70705549
N-benzyl-3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxybenzamide
CID 42526081
2-[(2S)-1-[3-(2-methoxyethoxy)benzoyl]piperidin-2-yl]acetamide
CID 95293638
[(2R)-2-(2-piperidin-1-ylethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone
CID 40776096
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone
CID 63767479
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119634499
3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 79548686
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
methyl 1-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]piperidine-2-carboxylate
CID 24793925

Frequently Asked Questions

What is the IUPAC name of [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone (CID 25303632) is [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone is COCC[C@H]1CCCCN1C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1.
What is the InChIKey of [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is IDCLNXBOTFHVLF-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H40N2O3/c1-25(2,3)19-26-15-11-22(12-16-26)30-23-10-7-8-20(18-23)24(28)27-14-6-5-9-21(27)13-17-29-4/h7-8,10,18,21-22H,5-6,9,11-17,19H2,1-4H3/t21-/m1/s1.
What are the key properties of [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone?
[3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 416.61 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(2,2-dimethylpropyl)piperidin-4-yl]oxyphenyl]-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25303632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).