(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide

C23H28N2O3 — CID 32621933

About (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide

(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide (PubChem CID 32621933) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
• PubChem CID: 32621933
• Molecular Formula: C23H28N2O3
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.21
• IUPAC Name: (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide
• SMILES: C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C23H28N2O3/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)24-22(26)20-8-4-12-25(15-20)23(27)21-9-5-13-28-21/h5,9-11,13-14,16,20H,2-4,6-8,12,15H2,1H3,(H,24,26)/t16-,20-/m1/s1
• InChIKey: QKKPBVZDKATYEW-OXQOHEQNSA-N
• XLogP: 3.89
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?

The IUPAC name of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide (CID 32621933) is (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?

The canonical SMILES for (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide is C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1ccc2c(c1)CCCC2.

What is the InChIKey of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?

The InChIKey is QKKPBVZDKATYEW-OXQOHEQNSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16(18-11-10-17-6-2-3-7-19(17)14-18)24-22(26)20-8-4-12-25(15-20)23(27)21-9-5-13-28-21/h5,9-11,13-14,16,20H,2-4,6-8,12,15H2,1H3,(H,24,26)/t16-,20-/m1/s1.

What are the key properties of (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide?

(3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(furan-2-carbonyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 32621933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).