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

C22H28ClN3O4 — CID 10830

IUPAC[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride
SMILESCl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O4.ClH/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);1H
InChIKeyOWULVAZDMWJBLB-UHFFFAOYSA-N
MW433.94 g/mol
LogP4.76
Rot. Bonds7

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

[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride (PubChem CID 10830) has the molecular formula C22H28ClN3O4 and a molecular weight of 433.94 g/mol. Its IUPAC name is [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride.

Molecular Properties

Compound Name[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride
PubChem CID10830
Molecular FormulaC22H28ClN3O4
Molecular Weight433.94 g/mol
Exact Mass433.18
IUPAC Name[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride
SMILESCl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1
InChIInChI=1S/C22H27N3O4.ClH/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);1H
InChIKeyOWULVAZDMWJBLB-UHFFFAOYSA-N
XLogP4.76
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride?
The IUPAC name of [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride (CID 10830) is [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride.
What is the SMILES notation for [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride?
The canonical SMILES for [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride is Cl.O=C(Nc1ccccc1)OCC(CN1CCCCC1)OC(=O)Nc1ccccc1.
What is the InChIKey of [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride?
The InChIKey is OWULVAZDMWJBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4.ClH/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);1H.
What are the key properties of [2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride?
[2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate;hydrochloride has a molecular weight of 433.94 g/mol, XLogP of 4.76, 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;hydrochloride is sourced from PubChem (CID 10830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).