N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride

C25H30Cl2N2O2 — CID 67753610

About N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride

N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride (PubChem CID 67753610) has the molecular formula C25H30Cl2N2O2 and a molecular weight of 461.43 g/mol. Its IUPAC name is N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride
• PubChem CID: 67753610
• Molecular Formula: C25H30Cl2N2O2
• Molecular Weight: 461.43 g/mol
• Exact Mass: 460.17
• IUPAC Name: N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride
• SMILES: CCOCC(=O)NC1CCN(C[C@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1.Cl
• InChI: InChI=1S/C25H29ClN2O2.ClH/c1-2-30-15-24(29)27-18-9-11-28(12-10-18)16-25-14-21(19-5-3-4-6-22(19)25)20-8-7-17(26)13-23(20)25;/h3-8,13,18,21H,2,9-12,14-16H2,1H3,(H,27,29);1H/t21-,25+;/m0./s1
• InChIKey: SVVLVERTSRNHIK-XSHMPXIGSA-N
• XLogP: 4.51
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.43
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride?

The IUPAC name of N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride (CID 67753610) is N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride.

What is the SMILES notation for N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride?

The canonical SMILES for N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride is CCOCC(=O)NC1CCN(C[C@]23C[C@@H](c4ccccc42)c2ccc(Cl)cc23)CC1.Cl.

What is the InChIKey of N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride?

The InChIKey is SVVLVERTSRNHIK-XSHMPXIGSA-N. The full InChI is InChI=1S/C25H29ClN2O2.ClH/c1-2-30-15-24(29)27-18-9-11-28(12-10-18)16-25-14-21(19-5-3-4-6-22(19)25)20-8-7-17(26)13-23(20)25;/h3-8,13,18,21H,2,9-12,14-16H2,1H3,(H,27,29);1H/t21-,25+;/m0./s1.

What are the key properties of N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride?

N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride has a molecular weight of 461.43 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[(1R,8S)-4-chloro-1-tetracyclo[6.6.1.02,7.09,14]pentadeca-2(7),3,5,9,11,13-hexaenyl]methyl]piperidin-4-yl]-2-ethoxyacetamide;hydrochloride is sourced from PubChem (CID 67753610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).