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

C22H27N3O4 — CID 6604268

IUPAC[(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@H](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)/t20-/m0/s1
InChIKeyYUGZHQHSNYIFLG-FQEVSTJZSA-N
MW397.47 g/mol
LogP4.34
Rot. Bonds7

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

[(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate (PubChem CID 6604268) has the molecular formula C22H27N3O4 and a molecular weight of 397.47 g/mol. Its IUPAC name is [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate.

Molecular Properties

Compound Name[(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
PubChem CID6604268
Molecular FormulaC22H27N3O4
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name[(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OC[C@H](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)/t20-/m0/s1
InChIKeyYUGZHQHSNYIFLG-FQEVSTJZSA-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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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
The IUPAC name of [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate (CID 6604268) is [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate.
What is the SMILES notation for [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
The canonical SMILES for [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate is O=C(Nc1ccccc1)OC[C@H](CN1CCCCC1)OC(=O)Nc1ccccc1.
What is the InChIKey of [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
The InChIKey is YUGZHQHSNYIFLG-FQEVSTJZSA-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)/t20-/m0/s1.
What are the key properties of [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate?
[(2S)-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 [(2S)-2-(phenylcarbamoyloxy)-3-piperidin-1-ylpropyl] N-phenylcarbamate is sourced from PubChem (CID 6604268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).