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Diperodon

C22H27N3O4 — CID 10831

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Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)
InChIKeyYUGZHQHSNYIFLG-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.34
Rot. Bonds7

About Diperodon

Diperodon (PubChem CID 10831) has the molecular formula C22H27N3O4 and a molecular weight of 397.47 g/mol. Its IUPAC name is [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate.

Molecular Properties

Compound NameDiperodon
PubChem CID10831
Molecular FormulaC22H27N3O4
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27)
InChIKeyYUGZHQHSNYIFLG-UHFFFAOYSA-N
XLogP4.34
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Diperodon Hydrochloride
CID 10830
N-phenylquinuclidin-3-yloxycarboxamide
CID 3945131
Diperodon anhydrous, (S)-
CID 6604268
2-(Diethylamino)ethyl N-phenylcarbamate
CID 19538
Carbamic acid, N,N-diphenyl-, 2-(diethylamino)ethyl ester
CID 12631
(4-Piperidin-1-yl-phenyl)-carbamic acid propyl ester
CID 651618
5-[(Diphenylamino)-methyl]-oxazolidin-2-one
CID 655109
(1-benzylpiperidin-3-yl) N-phenylcarbamate
CID 162671003
[(3R)-1-azabicyclo[2.2.2]octan-3-yl] N-phenylcarbamate
CID 684225

Frequently Asked Questions

What is the IUPAC name of Diperodon?
The IUPAC name of Diperodon (CID 10831) is [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate.
What is the SMILES notation for Diperodon?
The canonical SMILES for Diperodon is O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1.
What is the InChIKey of Diperodon?
The InChIKey is YUGZHQHSNYIFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c26-21(23-18-10-4-1-5-11-18)28-17-20(16-25-14-8-3-9-15-25)29-22(27)24-19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,23,26)(H,24,27).
What are the key properties of Diperodon?
Diperodon has a molecular weight of 397.47 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Diperodon is sourced from PubChem (CID 10831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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