[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate

C22H27N3O4 — CID 10831

💊View drug profile → diperodon
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 [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate

[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate (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 Name[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
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
Phenyl-carbamic acid 2-piperidin-1-yl-ethyl ester
CID 39736
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
butyl N-(4-piperidin-1-ylphenyl)carbamate
CID 1562745
N-[4-(4-morpholinyl)phenyl]carbamic acid butyl ester
CID 1562746
(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 [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
The IUPAC name of [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate (CID 10831) is [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate.
What is the SMILES notation for [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
The canonical SMILES for [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate is O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1.
What is the InChIKey of [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
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 [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate 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 [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate is sourced from PubChem (CID 10831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).