(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

C19H26N2O3 — CID 97351555

About (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide

(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (PubChem CID 97351555) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
• PubChem CID: 97351555
• Molecular Formula: C19H26N2O3
• Molecular Weight: 330.43 g/mol
• Exact Mass: 330.19
• IUPAC Name: (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
• SMILES: CC1([C@@H]2CCCN(C(=O)NC[C@@H]3Cc4ccccc43)C2)OCCO1
• InChI: InChI=1S/C19H26N2O3/c1-19(23-9-10-24-19)16-6-4-8-21(13-16)18(22)20-12-15-11-14-5-2-3-7-17(14)15/h2-3,5,7,15-16H,4,6,8-13H2,1H3,(H,20,22)/t15-,16+/m0/s1
• InChIKey: ZOXDHMGNGWBLLI-JKSUJKDBSA-N
• XLogP: 2.51
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.43
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?

The IUPAC name of (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide (CID 97351555) is (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?

The canonical SMILES for (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is CC1([C@@H]2CCCN(C(=O)NC[C@@H]3Cc4ccccc43)C2)OCCO1.

What is the InChIKey of (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?

The InChIKey is ZOXDHMGNGWBLLI-JKSUJKDBSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(23-9-10-24-19)16-6-4-8-21(13-16)18(22)20-12-15-11-14-5-2-3-7-17(14)15/h2-3,5,7,15-16H,4,6,8-13H2,1H3,(H,20,22)/t15-,16+/m0/s1.

What are the key properties of (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide?

(3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97351555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).