potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide

C12H21KN2O3 — CID 142544940

IUPACpotassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide
SMILESC[N-]C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.[K+]
InChIInChI=1S/C12H22N2O3.K/c1-12(2,3)17-11(16)14-7-5-6-9(8-14)10(15)13-4;/h9H,5-8H2,1-4H3,(H,13,15);/q;+1/p-1
InChIKeyGHGLNBBWMPHUKT-UHFFFAOYSA-M
MW280.41 g/mol
LogP-0.83
Rot. Bonds1

About potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide

potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide (PubChem CID 142544940) has the molecular formula C12H21KN2O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide.

Molecular Properties

Compound Namepotassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide
PubChem CID142544940
Molecular FormulaC12H21KN2O3
Molecular Weight280.41 g/mol
Exact Mass280.12
IUPAC Namepotassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide
SMILESC[N-]C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.[K+]
InChIInChI=1S/C12H22N2O3.K/c1-12(2,3)17-11(16)14-7-5-6-9(8-14)10(15)13-4;/h9H,5-8H2,1-4H3,(H,13,15);/q;+1/p-1
InChIKeyGHGLNBBWMPHUKT-UHFFFAOYSA-M
XLogP-0.83
TPSA60.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
[amino-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methylidene]azanium chloride
CID 86767264
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl (3R)-3-[(2R)-oxiran-2-yl]piperidine-1-carboxylate
CID 95386953
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
tert-butyl 3-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 50986435
tert-butyl 3-iodoazocane-1-carboxylate
CID 170622521

Frequently Asked Questions

What is the IUPAC name of potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide?
The IUPAC name of potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide (CID 142544940) is potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide.
What is the SMILES notation for potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide?
The canonical SMILES for potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide is C[N-]C(=O)C1CCCN(C(=O)OC(C)(C)C)C1.[K+].
What is the InChIKey of potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide?
The InChIKey is GHGLNBBWMPHUKT-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H22N2O3.K/c1-12(2,3)17-11(16)14-7-5-6-9(8-14)10(15)13-4;/h9H,5-8H2,1-4H3,(H,13,15);/q;+1/p-1.
What are the key properties of potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide?
potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide has a molecular weight of 280.41 g/mol, XLogP of -0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]azanide is sourced from PubChem (CID 142544940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).