10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide

C38H49FN4O4 — CID 10304921

About 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide

10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide (PubChem CID 10304921) has the molecular formula C38H49FN4O4 and a molecular weight of 644.83 g/mol. Its IUPAC name is 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide.

Molecular Properties

• Compound Name: 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide
• PubChem CID: 10304921
• Molecular Formula: C38H49FN4O4
• Molecular Weight: 644.83 g/mol
• Exact Mass: 644.37
• IUPAC Name: 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide
• SMILES: CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2C3CC(c4ccccc43)C2N)CC1
• InChI: InChI=1S/C38H49FN4O4/c1-37(2)23-47-36(46)43(37)22-38(25-8-4-3-5-9-25)16-18-42(19-17-38)35(45)31(20-24-12-14-26(39)15-13-24)41-34(44)32-29-21-30(33(32)40)28-11-7-6-10-27(28)29/h6-7,10-15,25,29-33H,3-5,8-9,16-23,40H2,1-2H3,(H,41,44)/t29?,30?,31-,32?,33?/m1/s1
• InChIKey: LZNFOJPKVCGQCF-XJWZSFNPSA-N
• XLogP: 5.50
• TPSA: 104.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.83
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide?

The IUPAC name of 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide (CID 10304921) is 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide.

What is the SMILES notation for 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide?

The canonical SMILES for 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide is CC1(C)COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)C2C3CC(c4ccccc43)C2N)CC1.

What is the InChIKey of 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide?

The InChIKey is LZNFOJPKVCGQCF-XJWZSFNPSA-N. The full InChI is InChI=1S/C38H49FN4O4/c1-37(2)23-47-36(46)43(37)22-38(25-8-4-3-5-9-25)16-18-42(19-17-38)35(45)31(20-24-12-14-26(39)15-13-24)41-34(44)32-29-21-30(33(32)40)28-11-7-6-10-27(28)29/h6-7,10-15,25,29-33H,3-5,8-9,16-23,40H2,1-2H3,(H,41,44)/t29?,30?,31-,32?,33?/m1/s1.

What are the key properties of 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide?

10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide has a molecular weight of 644.83 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-amino-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]tricyclo[6.2.1.02,7]undeca-2,4,6-triene-9-carboxamide is sourced from PubChem (CID 10304921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).