[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate

C15H16N2O6 — CID 12047333

IUPAC[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate
SMILESCC(=O)OC1CC(NC(=O)OCc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C15H16N2O6/c1-9(18)23-12-7-11(13(19)17-14(12)20)16-15(21)22-8-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,21)(H,17,19,20)
InChIKeySIIJOEXRBXMSSN-UHFFFAOYSA-N
MW320.30 g/mol
LogP0.26
Rot. Bonds4

About [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate

[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate (PubChem CID 12047333) has the molecular formula C15H16N2O6 and a molecular weight of 320.30 g/mol. Its IUPAC name is [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate.

Molecular Properties

Compound Name[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate
PubChem CID12047333
Molecular FormulaC15H16N2O6
Molecular Weight320.30 g/mol
Exact Mass320.10
IUPAC Name[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate
SMILESCC(=O)OC1CC(NC(=O)OCc2ccccc2)C(=O)NC1=O
InChIInChI=1S/C15H16N2O6/c1-9(18)23-12-7-11(13(19)17-14(12)20)16-15(21)22-8-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,21)(H,17,19,20)
InChIKeySIIJOEXRBXMSSN-UHFFFAOYSA-N
XLogP0.26
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-(2,5-dioxo-3,4-dihydro-1H-1-benzazepin-3-yl)carbamate
CID 118564381
benzyl N-[(4S)-3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl]carbamate
CID 163242520
[(1R,2R,3R,5R)-2,3-dihydroxy-5-(phenylmethoxycarbonylamino)cyclohexyl] acetate
CID 167728386
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[(2R,3R)-2-acetyl-4-oxoazetidin-3-yl]carbamate
CID 54247862
benzyl N-(2-acetyl-4-oxoazetidin-3-yl)carbamate
CID 54247861
benzyl N-[(3S)-8-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-3-yl]carbamate
CID 20703161
benzyl N-[(3aR,4S,7aR)-6-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]carbamate
CID 122212057
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(3-iodocyclobutyl)carbamate
CID 177035256

Frequently Asked Questions

What is the IUPAC name of [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate?
The IUPAC name of [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate (CID 12047333) is [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate.
What is the SMILES notation for [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate?
The canonical SMILES for [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate is CC(=O)OC1CC(NC(=O)OCc2ccccc2)C(=O)NC1=O.
What is the InChIKey of [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate?
The InChIKey is SIIJOEXRBXMSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O6/c1-9(18)23-12-7-11(13(19)17-14(12)20)16-15(21)22-8-10-5-3-2-4-6-10/h2-6,11-12H,7-8H2,1H3,(H,16,21)(H,17,19,20).
What are the key properties of [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate?
[2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate has a molecular weight of 320.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-dioxo-5-(phenylmethoxycarbonylamino)piperidin-3-yl] acetate is sourced from PubChem (CID 12047333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).