tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate

C12H22N2O3 — CID 166816959

IUPACtert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
SMILESCC1(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)14-9(8)15/h8H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyMKVCMKXSKGVISD-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.57
Rot. Bonds1

About tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate

tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate (PubChem CID 166816959) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
PubChem CID166816959
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate
SMILESCC1(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)14-9(8)15/h8H,6-7H2,1-5H3,(H,13,16)(H,14,15)
InChIKeyMKVCMKXSKGVISD-UHFFFAOYSA-N
XLogP1.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(7-oxo-6-azaspiro[4.6]undecan-8-yl)carbamate
CID 54349001
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-[(3R,7R)-7-methyl-2-oxoazepan-3-yl]carbamate
CID 166571691
tert-butyl N-[(3S,6R)-6-hydroxy-2-oxoazocan-3-yl]carbamate
CID 102263285
tert-butyl N-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
CID 23657246
tert-butyl N-[(2S)-3,3-dimethyl-4-oxoazetidin-2-yl]carbamate
CID 174710575
tert-butyl N-(5-oxo-1,4-thiazocan-6-yl)carbamate;molecular hydrogen
CID 143233012
methyl (2S)-3-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162479345
tert-butyl N-[(4R)-3,3-dimethylpiperidin-4-yl]carbamate
CID 92980395
tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
CID 84669461
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate (CID 166816959) is tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate is CC1(C)CCC(NC(=O)OC(C)(C)C)C(=O)N1.
What is the InChIKey of tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate?
The InChIKey is MKVCMKXSKGVISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(16)13-8-6-7-12(4,5)14-9(8)15/h8H,6-7H2,1-5H3,(H,13,16)(H,14,15).
What are the key properties of tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate?
tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate has a molecular weight of 242.32 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6,6-dimethyl-2-oxopiperidin-3-yl)carbamate is sourced from PubChem (CID 166816959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).