1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea

C24H28Cl3N3O — CID 23587527

About 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea

1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea (PubChem CID 23587527) has the molecular formula C24H28Cl3N3O and a molecular weight of 480.87 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea.

Molecular Properties

• Compound Name: 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
• PubChem CID: 23587527
• Molecular Formula: C24H28Cl3N3O
• Molecular Weight: 480.87 g/mol
• Exact Mass: 479.13
• IUPAC Name: 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea
• SMILES: O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1
• InChI: InChI=1S/C24H28Cl3N3O/c25-18-6-4-16(5-7-18)12-17-8-10-30(11-9-17)23-3-1-2-22(23)29-24(31)28-21-14-19(26)13-20(27)15-21/h4-7,13-15,17,22-23H,1-3,8-12H2,(H2,28,29,31)/t22-,23-/m1/s1
• InChIKey: CUMXHIMUHBKQRM-DHIUTWEWSA-N
• XLogP: 6.64
• TPSA: 44.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.87
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea?

The IUPAC name of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea (CID 23587527) is 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea.

What is the SMILES notation for 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea?

The canonical SMILES for 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea is O=C(Nc1cc(Cl)cc(Cl)c1)N[C@@H]1CCC[C@H]1N1CCC(Cc2ccc(Cl)cc2)CC1.

What is the InChIKey of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea?

The InChIKey is CUMXHIMUHBKQRM-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H28Cl3N3O/c25-18-6-4-16(5-7-18)12-17-8-10-30(11-9-17)23-3-1-2-22(23)29-24(31)28-21-14-19(26)13-20(27)15-21/h4-7,13-15,17,22-23H,1-3,8-12H2,(H2,28,29,31)/t22-,23-/m1/s1.

What are the key properties of 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea?

1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea has a molecular weight of 480.87 g/mol, XLogP of 6.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]-3-(3,5-dichlorophenyl)urea is sourced from PubChem (CID 23587527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).