(2R)-N-[1-[(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-methoxy-2-phenylacetamide

C30H31ClN2O2 — CID 54258925

About (2R)-N-[1-[(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-methoxy-2-phenylacetamide

(2R)-N-[1-[(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-methoxy-2-phenylacetamide (PubChem CID 54258925) has the molecular formula C30H31ClN2O2 and a molecular weight of 487.04 g/mol. Its IUPAC name is (2R)-N-[1-[(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-methoxy-2-phenylacetamide.

Molecular Properties

• Compound Name: (2R)-N-[1-[(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-methoxy-2-phenylacetamide
• PubChem CID: 54258925
• Molecular Formula: C30H31ClN2O2
• Molecular Weight: 487.04 g/mol
• Exact Mass: 486.21
• IUPAC Name: (2R)-N-[1-[(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-methoxy-2-phenylacetamide
• SMILES: CO[C@@H](C(=O)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1)c1ccccc1
• InChI: InChI=1S/C30H31ClN2O2/c1-35-28(20-7-3-2-4-8-20)29(34)32-22-13-15-33(16-14-22)19-30-18-25(23-9-5-6-10-26(23)30)24-12-11-21(31)17-27(24)30/h2-12,17,22,25,28H,13-16,18-19H2,1H3,(H,32,34)/t25?,28-,30?/m1/s1
• InChIKey: RCBVOHFLEAARES-OTDMGWBDSA-N
• XLogP: 5.44
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.04
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(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-methoxy-2-phenylacetamide?

The IUPAC name of (2R)-N-[1-[(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-methoxy-2-phenylacetamide (CID 54258925) is (2R)-N-[1-[(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-methoxy-2-phenylacetamide.

What is the SMILES notation for (2R)-N-[1-[(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-methoxy-2-phenylacetamide?

The canonical SMILES for (2R)-N-[1-[(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-methoxy-2-phenylacetamide is CO[C@@H](C(=O)NC1CCN(CC23CC(c4ccccc42)c2ccc(Cl)cc23)CC1)c1ccccc1.

What is the InChIKey of (2R)-N-[1-[(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-methoxy-2-phenylacetamide?

The InChIKey is RCBVOHFLEAARES-OTDMGWBDSA-N. The full InChI is InChI=1S/C30H31ClN2O2/c1-35-28(20-7-3-2-4-8-20)29(34)32-22-13-15-33(16-14-22)19-30-18-25(23-9-5-6-10-26(23)30)24-12-11-21(31)17-27(24)30/h2-12,17,22,25,28H,13-16,18-19H2,1H3,(H,32,34)/t25?,28-,30?/m1/s1.

What are the key properties of (2R)-N-[1-[(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-methoxy-2-phenylacetamide?

(2R)-N-[1-[(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-methoxy-2-phenylacetamide has a molecular weight of 487.04 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[1-[(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-methoxy-2-phenylacetamide is sourced from PubChem (CID 54258925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).