cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

C48H53Cl5N6O4 — CID 87928337

About cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide

cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (PubChem CID 87928337) has the molecular formula C48H53Cl5N6O4 and a molecular weight of 955.25 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
• PubChem CID: 87928337
• Molecular Formula: C48H53Cl5N6O4
• Molecular Weight: 955.25 g/mol
• Exact Mass: 952.26
• IUPAC Name: cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
• SMILES: CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)C(C)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1
• InChI: InChI=1S/C33H37Cl2N3O2.C15H16Cl3N3O2/c1-23(25-10-6-4-7-11-25)37(3)31(40)33(27-14-15-29(34)30(35)20-27)21-28(33)22-38-18-16-32(17-19-38,36-24(2)39)26-12-8-5-9-13-26;1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h4-15,20,23,28H,16-19,21-22H2,1-3H3,(H,36,39);3,5,8-10H,2,4,6-7H2,1H3/t23?,28-,33+;/m0./s1
• InChIKey: GTGHXHUOVLKJLW-AODXKYOKSA-N
• XLogP: 11.20
• TPSA: 100.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	955.25
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

The IUPAC name of cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide (CID 87928337) is cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide.

What is the SMILES notation for cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

The canonical SMILES for cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is CC(=O)NC1(c2ccccc2)CCN(C[C@@H]2C[C@@]2(C(=O)N(C)C(C)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n1ccnc1.

What is the InChIKey of cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

The InChIKey is GTGHXHUOVLKJLW-AODXKYOKSA-N. The full InChI is InChI=1S/C33H37Cl2N3O2.C15H16Cl3N3O2/c1-23(25-10-6-4-7-11-25)37(3)31(40)33(27-14-15-29(34)30(35)20-27)21-28(33)22-38-18-16-32(17-19-38,36-24(2)39)26-12-8-5-9-13-26;1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h4-15,20,23,28H,16-19,21-22H2,1-3H3,(H,36,39);3,5,8-10H,2,4,6-7H2,1H3/t23?,28-,33+;/m0./s1.

What are the key properties of cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide?

cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide has a molecular weight of 955.25 g/mol, XLogP of 11.20, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,2R)-2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide;N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 87928337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).