2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide

C28H35N3O2 — CID 143201235

About 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide

2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide (PubChem CID 143201235) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide.

Molecular Properties

• Compound Name: 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
• PubChem CID: 143201235
• Molecular Formula: C28H35N3O2
• Molecular Weight: 445.61 g/mol
• Exact Mass: 445.27
• IUPAC Name: 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide
• SMILES: O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)CCC1(CCCNC1=O)C2
• InChI: InChI=1S/C28H35N3O2/c32-26(29-15-18-31-16-10-22(11-17-31)21-5-2-1-3-6-21)24-7-8-25-20-28(13-9-23(25)19-24)12-4-14-30-27(28)33/h1-3,5-8,19,22H,4,9-18,20H2,(H,29,32)(H,30,33)
• InChIKey: JARFFOPCMAVLLJ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.61
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?

The IUPAC name of 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide (CID 143201235) is 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide.

What is the SMILES notation for 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?

The canonical SMILES for 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide is O=C(NCCN1CCC(c2ccccc2)CC1)c1ccc2c(c1)CCC1(CCCNC1=O)C2.

What is the InChIKey of 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?

The InChIKey is JARFFOPCMAVLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2/c32-26(29-15-18-31-16-10-22(11-17-31)21-5-2-1-3-6-21)24-7-8-25-20-28(13-9-23(25)19-24)12-4-14-30-27(28)33/h1-3,5-8,19,22H,4,9-18,20H2,(H,29,32)(H,30,33).

What are the key properties of 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide?

2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide has a molecular weight of 445.61 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2'-oxo-N-[2-(4-phenylpiperidin-1-yl)ethyl]spiro[7,8-dihydro-5H-naphthalene-6,3'-piperidine]-2-carboxamide is sourced from PubChem (CID 143201235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).