N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide

C23H33N5O3 — CID 42850252

About N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide

N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide (PubChem CID 42850252) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
• PubChem CID: 42850252
• Molecular Formula: C23H33N5O3
• Molecular Weight: 427.55 g/mol
• Exact Mass: 427.26
• IUPAC Name: N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide
• SMILES: CC1CCN(CC(O)CN2CCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)CC1
• InChI: InChI=1S/C23H33N5O3/c1-18-6-8-26(9-7-18)16-20(29)17-27-10-12-28(13-11-27)22-5-4-19(15-24-22)25-23(30)21-3-2-14-31-21/h2-5,14-15,18,20,29H,6-13,16-17H2,1H3,(H,25,30)
• InChIKey: ANLPIZKQVSNFJF-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 85.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.55
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?

The IUPAC name of N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide (CID 42850252) is N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide.

What is the SMILES notation for N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?

The canonical SMILES for N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide is CC1CCN(CC(O)CN2CCN(c3ccc(NC(=O)c4ccco4)cn3)CC2)CC1.

What is the InChIKey of N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?

The InChIKey is ANLPIZKQVSNFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O3/c1-18-6-8-26(9-7-18)16-20(29)17-27-10-12-28(13-11-27)22-5-4-19(15-24-22)25-23(30)21-3-2-14-31-21/h2-5,14-15,18,20,29H,6-13,16-17H2,1H3,(H,25,30).

What are the key properties of N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide?

N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]piperazin-1-yl]-3-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 42850252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).