1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C36H47ClN4O4 — CID 10211481

About 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 10211481) has the molecular formula C36H47ClN4O4 and a molecular weight of 635.25 g/mol. Its IUPAC name is 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

• Compound Name: 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• PubChem CID: 10211481
• Molecular Formula: C36H47ClN4O4
• Molecular Weight: 635.25 g/mol
• Exact Mass: 634.33
• IUPAC Name: 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
• SMILES: C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCc3ccccc3C2N)CC1
• InChI: InChI=1S/C36H47ClN4O4/c1-24-22-45-35(44)41(24)23-36(27-8-3-2-4-9-27)17-19-40(20-18-36)34(43)31(21-25-11-14-28(37)15-12-25)39-33(42)30-16-13-26-7-5-6-10-29(26)32(30)38/h5-7,10-12,14-15,24,27,30-32H,2-4,8-9,13,16-23,38H2,1H3,(H,39,42)/t24-,30?,31+,32?/m0/s1
• InChIKey: LOGDXGQCJBSKKC-JDMIHKEDSA-N
• XLogP: 5.66
• TPSA: 104.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.25
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The IUPAC name of 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 10211481) is 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

What is the SMILES notation for 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The canonical SMILES for 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is C[C@H]1COC(=O)N1CC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)C2CCc3ccccc3C2N)CC1.

What is the InChIKey of 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

The InChIKey is LOGDXGQCJBSKKC-JDMIHKEDSA-N. The full InChI is InChI=1S/C36H47ClN4O4/c1-24-22-45-35(44)41(24)23-36(27-8-3-2-4-9-27)17-19-40(20-18-36)34(43)31(21-25-11-14-28(37)15-12-25)39-33(42)30-16-13-26-7-5-6-10-29(26)32(30)38/h5-7,10-12,14-15,24,27,30-32H,2-4,8-9,13,16-23,38H2,1H3,(H,39,42)/t24-,30?,31+,32?/m0/s1.

What are the key properties of 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?

1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 635.25 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclohexyl-4-[[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 10211481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).