1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone

C20H32N2O2 — CID 112796946

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
SMILESCOc1ccc(C(NCC(=O)N2CC(C)CC(C)C2)C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-14(2)20(17-6-8-18(24-5)9-7-17)21-11-19(23)22-12-15(3)10-16(4)13-22/h6-9,14-16,20-21H,10-13H2,1-5H3
InChIKeyUOLHXYOGYYUEQF-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.49
Rot. Bonds6

About 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone (PubChem CID 112796946) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
PubChem CID112796946
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone
SMILESCOc1ccc(C(NCC(=O)N2CC(C)CC(C)C2)C(C)C)cc1
InChIInChI=1S/C20H32N2O2/c1-14(2)20(17-6-8-18(24-5)9-7-17)21-11-19(23)22-12-15(3)10-16(4)13-22/h6-9,14-16,20-21H,10-13H2,1-5H3
InChIKeyUOLHXYOGYYUEQF-UHFFFAOYSA-N
XLogP3.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone with MolForge

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Related Compounds

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(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-[4-(4-methoxyphenyl)phenyl]ethyl]amino}pentanamide
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2(1H)-Pyridinone, 5-ethyl-3-(((5-ethyl-2-methoxyphenyl)methyl)amino)-6-methyl-
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(2R)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
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(S)-2-((4-(Benzyloxy)benzyl)amino)propanamide
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N-(4-methoxybenzyl)oleamide
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1-(2-(3-Methoxyphenyl)-1-phenylethyl)piperazine
CID 13904719
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-(4-phenoxyphenyl)ethyl]amino}pentanamide
CID 23648304

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone (CID 112796946) is 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone is COc1ccc(C(NCC(=O)N2CC(C)CC(C)C2)C(C)C)cc1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone?
The InChIKey is UOLHXYOGYYUEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-14(2)20(17-6-8-18(24-5)9-7-17)21-11-19(23)22-12-15(3)10-16(4)13-22/h6-9,14-16,20-21H,10-13H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone has a molecular weight of 332.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]ethanone is sourced from PubChem (CID 112796946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).