3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide

C25H30ClN3O2 — CID 142667565

About 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide

3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide (PubChem CID 142667565) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide
• PubChem CID: 142667565
• Molecular Formula: C25H30ClN3O2
• Molecular Weight: 439.99 g/mol
• Exact Mass: 439.20
• IUPAC Name: 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide
• SMILES: NC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(Cc3ccc(Cl)cc3)CC2)c1
• InChI: InChI=1S/C25H30ClN3O2/c26-21-9-7-17(8-10-21)15-18-11-13-29(14-12-18)23-6-2-5-22(23)28-25(31)20-4-1-3-19(16-20)24(27)30/h1,3-4,7-10,16,18,22-23H,2,5-6,11-15H2,(H2,27,30)(H,28,31)/t22-,23-/m1/s1
• InChIKey: NCTZGAOLWUXHJH-DHIUTWEWSA-N
• XLogP: 4.04
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.99
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide?

The IUPAC name of 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide (CID 142667565) is 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide is NC(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(Cc3ccc(Cl)cc3)CC2)c1.

What is the InChIKey of 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide?

The InChIKey is NCTZGAOLWUXHJH-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c26-21-9-7-17(8-10-21)15-18-11-13-29(14-12-18)23-6-2-5-22(23)28-25(31)20-4-1-3-19(16-20)24(27)30/h1,3-4,7-10,16,18,22-23H,2,5-6,11-15H2,(H2,27,30)(H,28,31)/t22-,23-/m1/s1.

What are the key properties of 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide?

3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide has a molecular weight of 439.99 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-N-[(1R,2R)-2-[4-[(4-chlorophenyl)methyl]piperidin-1-yl]cyclopentyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 142667565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).