N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide

C24H31Cl2N3O2 — CID 156704246

About N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide

N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide (PubChem CID 156704246) has the molecular formula C24H31Cl2N3O2 and a molecular weight of 464.44 g/mol. Its IUPAC name is N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
• PubChem CID: 156704246
• Molecular Formula: C24H31Cl2N3O2
• Molecular Weight: 464.44 g/mol
• Exact Mass: 463.18
• IUPAC Name: N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
• SMILES: C[C@@H]1CN(CCC2CCC(NC(=O)c3ccco3)CC2)CCN1c1cccc(Cl)c1Cl
• InChI: InChI=1S/C24H31Cl2N3O2/c1-17-16-28(13-14-29(17)21-5-2-4-20(25)23(21)26)12-11-18-7-9-19(10-8-18)27-24(30)22-6-3-15-31-22/h2-6,15,17-19H,7-14,16H2,1H3,(H,27,30)/t17-,18?,19?/m1/s1
• InChIKey: ZGSKCCDOCCAQCR-LMDPOFIKSA-N
• XLogP: 5.48
• TPSA: 48.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.44
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

The IUPAC name of N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide (CID 156704246) is N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide.

What is the SMILES notation for N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

The canonical SMILES for N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide is C[C@@H]1CN(CCC2CCC(NC(=O)c3ccco3)CC2)CCN1c1cccc(Cl)c1Cl.

What is the InChIKey of N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

The InChIKey is ZGSKCCDOCCAQCR-LMDPOFIKSA-N. The full InChI is InChI=1S/C24H31Cl2N3O2/c1-17-16-28(13-14-29(17)21-5-2-4-20(25)23(21)26)12-11-18-7-9-19(10-8-18)27-24(30)22-6-3-15-31-22/h2-6,15,17-19H,7-14,16H2,1H3,(H,27,30)/t17-,18?,19?/m1/s1.

What are the key properties of N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?

N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide has a molecular weight of 464.44 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 156704246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).