1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide

C12H22N2O3 — CID 112604323

IUPAC1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
SMILESCC(C)(C)OCC(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-8-10(15)14-7-5-4-6-9(14)11(13)16/h9H,4-8H2,1-3H3,(H2,13,16)
InChIKeyABJPWEOJRQNONT-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.67
Rot. Bonds3

About 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide

1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide (PubChem CID 112604323) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
PubChem CID112604323
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide
SMILESCC(C)(C)OCC(=O)N1CCCCC1C(N)=O
InChIInChI=1S/C12H22N2O3/c1-12(2,3)17-8-10(15)14-7-5-4-6-9(14)11(13)16/h9H,4-8H2,1-3H3,(H2,13,16)
InChIKeyABJPWEOJRQNONT-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-2-carboxylate
CID 112603577
1-propanoylpiperidine-2-carboxamide
CID 60717244
2-[(2-methylpropan-2-yl)oxy]-1-(2-methylpyrrolidin-1-yl)ethanone
CID 112604725
4-(2-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
CID 43222532
2-[(2-methylpropan-2-yl)oxy]-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 115949467
(2S)-1-[(2S)-2-amino-3-[(2-methylpropan-2-yl)oxy]propanoyl]pyrrolidine-2-carboxamide
CID 70564093
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 103940379
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578
(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 142833524
(2S)-1-butanoylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142833543
(2S)-1-(2-aminoacetyl)pyrrolidine-2-carboxamide;hydrochloride
CID 175720359
(2R)-1-(2-methoxyacetyl)piperidine-2-carboxylic acid
CID 30046872

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide (CID 112604323) is 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide is CC(C)(C)OCC(=O)N1CCCCC1C(N)=O.
What is the InChIKey of 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide?
The InChIKey is ABJPWEOJRQNONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(2,3)17-8-10(15)14-7-5-4-6-9(14)11(13)16/h9H,4-8H2,1-3H3,(H2,13,16).
What are the key properties of 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide?
1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylpropan-2-yl)oxy]acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 112604323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).