methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium

C14H22NO5+ — CID 58853396

IUPACmethylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium
SMILESC=[O+]C(=O)CC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22NO5/c1-14(2,3)20-13(18)15-7-5-6-10(9-15)11(16)8-12(17)19-4/h10H,4-9H2,1-3H3/q+1
InChIKeyUTJDAYAQZSFISF-UHFFFAOYSA-N
MW284.33 g/mol
LogP1.48
Rot. Bonds3

About methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium

methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium (PubChem CID 58853396) has the molecular formula C14H22NO5+ and a molecular weight of 284.33 g/mol. Its IUPAC name is methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium.

Molecular Properties

Compound Namemethylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium
PubChem CID58853396
Molecular FormulaC14H22NO5+
Molecular Weight284.33 g/mol
Exact Mass284.15
IUPAC Namemethylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium
SMILESC=[O+]C(=O)CC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H22NO5/c1-14(2,3)20-13(18)15-7-5-6-10(9-15)11(16)8-12(17)19-4/h10H,4-9H2,1-3H3/q+1
InChIKeyUTJDAYAQZSFISF-UHFFFAOYSA-N
XLogP1.48
TPSA74.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(2-aminoacetyl)piperidine-1-carboxylate
CID 82386816
tert-butyl 3-(2-aminoacetyl)azepane-1-carboxylate
CID 83488550
tert-butyl 3-pentanoylpiperidine-1-carboxylate
CID 82092945
tert-butyl 3-(2-methylsulfonylacetyl)piperidine-1-carboxylate
CID 53485471
tert-butyl (3S)-3-(2-cyanoacetyl)piperidine-1-carboxylate
CID 1448007
tert-butyl (3S)-3-(3-methylbut-3-enoyl)pyrrolidine-1-carboxylate
CID 165467177
tert-butyl (3S)-3-(2,2-dicyano-1-methoxyethenyl)piperidine-1-carboxylate
CID 93481128
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-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 160697119
tert-butyl 3-iodoazocane-1-carboxylate
CID 170622521

Frequently Asked Questions

What is the IUPAC name of methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium?
The IUPAC name of methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium (CID 58853396) is methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium.
What is the SMILES notation for methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium?
The canonical SMILES for methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium is C=[O+]C(=O)CC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium?
The InChIKey is UTJDAYAQZSFISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO5/c1-14(2,3)20-13(18)15-7-5-6-10(9-15)11(16)8-12(17)19-4/h10H,4-9H2,1-3H3/q+1.
What are the key properties of methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium?
methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium has a molecular weight of 284.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methylidene-[3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-3-oxopropanoyl]oxidanium is sourced from PubChem (CID 58853396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).