(3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide

C68H103F2N9O8 — CID 91471265

About (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide

(3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide (PubChem CID 91471265) has the molecular formula C68H103F2N9O8 and a molecular weight of 1212.62 g/mol. Its IUPAC name is (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide
• PubChem CID: 91471265
• Molecular Formula: C68H103F2N9O8
• Molecular Weight: 1212.62 g/mol
• Exact Mass: 1211.79
• IUPAC Name: (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide
• SMILES: CC(C)N1CCN(C)C[C@@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CN2C(=O)OCC2(C)C)(C2CCCCC2)CC1.CN1CCC[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)C1
• InChI: InChI=1S/C35H54FN5O4.C33H49FN4O4/c1-25(2)40-20-19-38(5)22-30(40)31(42)37-29(21-26-11-13-28(36)14-12-26)32(43)39-17-15-35(16-18-39,27-9-7-6-8-10-27)23-41-33(44)45-24-34(41,3)4;1-32(2)23-42-31(41)38(32)22-33(26-9-5-4-6-10-26)15-18-37(19-16-33)30(40)28(20-24-11-13-27(34)14-12-24)35-29(39)25-8-7-17-36(3)21-25/h11-14,25,27,29-30H,6-10,15-24H2,1-5H3,(H,37,42);11-14,25-26,28H,4-10,15-23H2,1-3H3,(H,35,39)/t29-,30-;25-,28-/m11/s1
• InChIKey: NDSDEZKZUHFTHX-QMHASBGDSA-N
• XLogP: 8.91
• TPSA: 167.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1212.62
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide?

The IUPAC name of (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide (CID 91471265) is (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide.

What is the SMILES notation for (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide?

The canonical SMILES for (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide is CC(C)N1CCN(C)C[C@@H]1C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N1CCC(CN2C(=O)OCC2(C)C)(C2CCCCC2)CC1.CN1CCC[C@@H](C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)N2CCC(CN3C(=O)OCC3(C)C)(C3CCCCC3)CC2)C1.

What is the InChIKey of (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide?

The InChIKey is NDSDEZKZUHFTHX-QMHASBGDSA-N. The full InChI is InChI=1S/C35H54FN5O4.C33H49FN4O4/c1-25(2)40-20-19-38(5)22-30(40)31(42)37-29(21-26-11-13-28(36)14-12-26)32(43)39-17-15-35(16-18-39,27-9-7-6-8-10-27)23-41-33(44)45-24-34(41,3)4;1-32(2)23-42-31(41)38(32)22-33(26-9-5-4-6-10-26)15-18-37(19-16-33)30(40)28(20-24-11-13-27(34)14-12-24)35-29(39)25-8-7-17-36(3)21-25/h11-14,25,27,29-30H,6-10,15-24H2,1-5H3,(H,37,42);11-14,25-26,28H,4-10,15-23H2,1-3H3,(H,35,39)/t29-,30-;25-,28-/m11/s1.

What are the key properties of (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide?

(3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide has a molecular weight of 1212.62 g/mol, XLogP of 8.91, 17 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1-methylpiperidine-3-carboxamide;(2R)-N-[(2R)-1-[4-cyclohexyl-4-[(4,4-dimethyl-2-oxo-1,3-oxazolidin-3-yl)methyl]piperidin-1-yl]-3-(4-fluorophenyl)-1-oxopropan-2-yl]-4-methyl-1-propan-2-ylpiperazine-2-carboxamide is sourced from PubChem (CID 91471265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).