(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

C19H22N2O5 — CID 55321041

IUPAC(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)C2CC2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O5/c22-16(20-17(23)13-4-2-1-3-5-13)12-26-19(25)15-8-10-21(11-9-15)18(24)14-6-7-14/h1-5,14-15H,6-12H2,(H,20,22,23)
InChIKeyCARWCGYTSHDKHU-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.13
Rot. Bonds5

About (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate

(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (PubChem CID 55321041) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
PubChem CID55321041
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)C2CC2)CC1)NC(=O)c1ccccc1
InChIInChI=1S/C19H22N2O5/c22-16(20-17(23)13-4-2-1-3-5-13)12-26-19(25)15-8-10-21(11-9-15)18(24)14-6-7-14/h1-5,14-15H,6-12H2,(H,20,22,23)
InChIKeyCARWCGYTSHDKHU-UHFFFAOYSA-N
XLogP1.13
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate (CID 55321041) is (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is O=C(COC(=O)C1CCN(C(=O)C2CC2)CC1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
The InChIKey is CARWCGYTSHDKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c22-16(20-17(23)13-4-2-1-3-5-13)12-26-19(25)15-8-10-21(11-9-15)18(24)14-6-7-14/h1-5,14-15H,6-12H2,(H,20,22,23).
What are the key properties of (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate?
(2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 1-(cyclopropanecarbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 55321041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).