N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide

C13H25N3O3 — CID 115874162

IUPACN-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCC1(O)CCCN(CC(=O)NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)15-11(18)14-10(17)8-16-7-5-6-13(4,19)9-16/h19H,5-9H2,1-4H3,(H2,14,15,17,18)
InChIKeyNZYLOIQXLSVOSN-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.46
Rot. Bonds2

About N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide

N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide (PubChem CID 115874162) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
PubChem CID115874162
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
SMILESCC1(O)CCCN(CC(=O)NC(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H25N3O3/c1-12(2,3)15-11(18)14-10(17)8-16-7-5-6-13(4,19)9-16/h19H,5-9H2,1-4H3,(H2,14,15,17,18)
InChIKeyNZYLOIQXLSVOSN-UHFFFAOYSA-N
XLogP0.46
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103728689
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-phenylacetamide
CID 115873944
N-(1-cyanocyclopentyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874111
N-tert-butyl-3-hydroxy-3-methylpiperidine-1-carboxamide
CID 115872033
2-(4-hydroxy-4-methylazepan-1-yl)-N-(2-methylbutan-2-yl)acetamide
CID 107408042
1-[2-(tert-butylcarbamoylamino)-2-oxoethyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064525
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
N-(tert-butylcarbamoyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62357321
N-(tert-butylcarbamoyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 46673900
2-(3-hydroxy-3-methylpiperidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 115873788
N-(tert-butylcarbamoyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 51171979
ethyl N-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]carbamate
CID 103729347

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide (CID 115874162) is N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide is CC1(O)CCCN(CC(=O)NC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
The InChIKey is NZYLOIQXLSVOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-12(2,3)15-11(18)14-10(17)8-16-7-5-6-13(4,19)9-16/h19H,5-9H2,1-4H3,(H2,14,15,17,18).
What are the key properties of N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide?
N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 115874162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).