benzyl 2-benzyl-3-oxopiperidine-1-carboxylate

C20H21NO3 — CID 23509685

IUPACbenzyl 2-benzyl-3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)OCc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyDCGIGTCUEYOURR-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.60
Rot. Bonds4

About benzyl 2-benzyl-3-oxopiperidine-1-carboxylate

benzyl 2-benzyl-3-oxopiperidine-1-carboxylate (PubChem CID 23509685) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is benzyl 2-benzyl-3-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzyl-3-oxopiperidine-1-carboxylate
PubChem CID23509685
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namebenzyl 2-benzyl-3-oxopiperidine-1-carboxylate
SMILESO=C1CCCN(C(=O)OCc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2
InChIKeyDCGIGTCUEYOURR-UHFFFAOYSA-N
XLogP3.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzyl-3-oxopiperidine-1-carboxylate?
The IUPAC name of benzyl 2-benzyl-3-oxopiperidine-1-carboxylate (CID 23509685) is benzyl 2-benzyl-3-oxopiperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-benzyl-3-oxopiperidine-1-carboxylate?
The canonical SMILES for benzyl 2-benzyl-3-oxopiperidine-1-carboxylate is O=C1CCCN(C(=O)OCc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of benzyl 2-benzyl-3-oxopiperidine-1-carboxylate?
The InChIKey is DCGIGTCUEYOURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-19-12-7-13-21(18(19)14-16-8-3-1-4-9-16)20(23)24-15-17-10-5-2-6-11-17/h1-6,8-11,18H,7,12-15H2.
What are the key properties of benzyl 2-benzyl-3-oxopiperidine-1-carboxylate?
benzyl 2-benzyl-3-oxopiperidine-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzyl-3-oxopiperidine-1-carboxylate is sourced from PubChem (CID 23509685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).