N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide

C25H30N4O2S — CID 125155019

About N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide

N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide (PubChem CID 125155019) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
• PubChem CID: 125155019
• Molecular Formula: C25H30N4O2S
• Molecular Weight: 450.61 g/mol
• Exact Mass: 450.21
• IUPAC Name: N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
• SMILES: C[C@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1
• InChI: InChI=1S/C25H30N4O2S/c1-20(16-27-25(30)24-5-3-15-32-24)31-23-8-6-21(7-9-23)18-28-11-13-29(14-12-28)19-22-4-2-10-26-17-22/h2-10,15,17,20H,11-14,16,18-19H2,1H3,(H,27,30)/t20-/m1/s1
• InChIKey: BTKACOJMVIOITE-HXUWFJFHSA-N
• XLogP: 3.66
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.61
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?

The IUPAC name of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide (CID 125155019) is N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide.

What is the SMILES notation for N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?

The canonical SMILES for N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide is C[C@H](CNC(=O)c1cccs1)Oc1ccc(CN2CCN(Cc3cccnc3)CC2)cc1.

What is the InChIKey of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?

The InChIKey is BTKACOJMVIOITE-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-20(16-27-25(30)24-5-3-15-32-24)31-23-8-6-21(7-9-23)18-28-11-13-29(14-12-28)19-22-4-2-10-26-17-22/h2-10,15,17,20H,11-14,16,18-19H2,1H3,(H,27,30)/t20-/m1/s1.

What are the key properties of N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide?

N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide has a molecular weight of 450.61 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide is sourced from PubChem (CID 125155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).