2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone

C16H32N2O2 — CID 155458223

IUPAC2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
SMILESCC(C)[C@@H](C)NCC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12(2)13(3)17-11-15(19)18-9-7-14(8-10-18)20-16(4,5)6/h12-14,17H,7-11H2,1-6H3/t13-/m1/s1
InChIKeyUBRVRISELOALSC-CYBMUJFWSA-N
MW284.44 g/mol
LogP2.43
Rot. Bonds5

About 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone

2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone (PubChem CID 155458223) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
PubChem CID155458223
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
SMILESCC(C)[C@@H](C)NCC(=O)N1CCC(OC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O2/c1-12(2)13(3)17-11-15(19)18-9-7-14(8-10-18)20-16(4,5)6/h12-14,17H,7-11H2,1-6H3/t13-/m1/s1
InChIKeyUBRVRISELOALSC-CYBMUJFWSA-N
XLogP2.43
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone with MolForge

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Related Compounds

2-methoxy-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone
CID 58139999
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
1-(4-methoxypiperidin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604331
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 82690835
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)ethanone
CID 99696059
2-[[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]amino]-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 126806340
1-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]acetyl]piperidine-4-carboxylic acid
CID 103245253
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 155051717
2-(methylamino)-1-[3-(3-methylbutoxy)pyrrolidin-1-yl]ethanone
CID 119789471

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone (CID 155458223) is 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone is CC(C)[C@@H](C)NCC(=O)N1CCC(OC(C)(C)C)CC1.
What is the InChIKey of 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
The InChIKey is UBRVRISELOALSC-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)13(3)17-11-15(19)18-9-7-14(8-10-18)20-16(4,5)6/h12-14,17H,7-11H2,1-6H3/t13-/m1/s1.
What are the key properties of 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone?
2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone has a molecular weight of 284.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-methylbutan-2-yl]amino]-1-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 155458223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).