(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

C50H81FN6O5 — CID 67198116

About (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide

(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (PubChem CID 67198116) has the molecular formula C50H81FN6O5 and a molecular weight of 865.23 g/mol. Its IUPAC name is (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
• PubChem CID: 67198116
• Molecular Formula: C50H81FN6O5
• Molecular Weight: 865.23 g/mol
• Exact Mass: 864.63
• IUPAC Name: (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide
• SMILES: CNC[C@H](CC1CCCCC1)NC(=O)N1CCCCC1.CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(F)ccc2Oc2ccccc2)C1
• InChI: InChI=1S/C34H50FN3O4.C16H31N3O/c1-36-24-29(22-26-12-5-3-6-13-26)37-33(39)38-20-11-14-27(25-38)34(40,19-9-10-21-41-2)31-23-28(35)17-18-32(31)42-30-15-7-4-8-16-30;1-17-13-15(12-14-8-4-2-5-9-14)18-16(20)19-10-6-3-7-11-19/h4,7-8,15-18,23,26-27,29,36,40H,3,5-6,9-14,19-22,24-25H2,1-2H3,(H,37,39);14-15,17H,2-13H2,1H3,(H,18,20)/t27-,29+,34+;15-/m10/s1
• InChIKey: ACLZYCSMLMAYFH-XARYEBMSSA-N
• XLogP: 9.34
• TPSA: 127.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.23
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?

The IUPAC name of (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide (CID 67198116) is (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide.

What is the SMILES notation for (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?

The canonical SMILES for (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is CNC[C@H](CC1CCCCC1)NC(=O)N1CCCCC1.CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cc(F)ccc2Oc2ccccc2)C1.

What is the InChIKey of (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?

The InChIKey is ACLZYCSMLMAYFH-XARYEBMSSA-N. The full InChI is InChI=1S/C34H50FN3O4.C16H31N3O/c1-36-24-29(22-26-12-5-3-6-13-26)37-33(39)38-20-11-14-27(25-38)34(40,19-9-10-21-41-2)31-23-28(35)17-18-32(31)42-30-15-7-4-8-16-30;1-17-13-15(12-14-8-4-2-5-9-14)18-16(20)19-10-6-3-7-11-19/h4,7-8,15-18,23,26-27,29,36,40H,3,5-6,9-14,19-22,24-25H2,1-2H3,(H,37,39);14-15,17H,2-13H2,1H3,(H,18,20)/t27-,29+,34+;15-/m10/s1.

What are the key properties of (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide?

(3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 865.23 g/mol, XLogP of 9.34, 19 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]-3-[(1S)-1-(5-fluoro-2-phenoxyphenyl)-1-hydroxy-5-methoxypentyl]piperidine-1-carboxamide;N-[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 67198116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).