benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate

C22H24N2O5 — CID 2811287

IUPACbenzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H24N2O5/c25-21(23-13-17-6-7-19-20(12-17)29-15-28-19)18-8-10-24(11-9-18)22(26)27-14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,23,25)
InChIKeyGNZVVDNBOPDJNZ-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.08
Rot. Bonds5

About benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate

benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate (PubChem CID 2811287) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
PubChem CID2811287
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namebenzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate
SMILESO=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C22H24N2O5/c25-21(23-13-17-6-7-19-20(12-17)29-15-28-19)18-8-10-24(11-9-18)22(26)27-14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,23,25)
InChIKeyGNZVVDNBOPDJNZ-UHFFFAOYSA-N
XLogP3.08
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate (CID 2811287) is benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate is O=C(NCc1ccc2c(c1)OCO2)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is GNZVVDNBOPDJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c25-21(23-13-17-6-7-19-20(12-17)29-15-28-19)18-8-10-24(11-9-18)22(26)27-14-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,23,25).
What are the key properties of benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate?
benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 396.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(1,3-benzodioxol-5-ylmethylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 2811287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).