N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide

C29H41FN2O3 — CID 72700685

About N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide

N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide (PubChem CID 72700685) has the molecular formula C29H41FN2O3 and a molecular weight of 484.66 g/mol. Its IUPAC name is N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide.

Molecular Properties

• Compound Name: N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide
• PubChem CID: 72700685
• Molecular Formula: C29H41FN2O3
• Molecular Weight: 484.66 g/mol
• Exact Mass: 484.31
• IUPAC Name: N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide
• SMILES: CCCCN(CCO)C(=O)c1ccc(-c2ccc(OCC3CCN(CC(C)(C)F)CC3)cc2)cc1
• InChI: InChI=1S/C29H41FN2O3/c1-4-5-16-32(19-20-33)28(34)26-8-6-24(7-9-26)25-10-12-27(13-11-25)35-21-23-14-17-31(18-15-23)22-29(2,3)30/h6-13,23,33H,4-5,14-22H2,1-3H3
• InChIKey: QXIGUYXDFMTICY-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 53.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.66
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide?

The IUPAC name of N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide (CID 72700685) is N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide.

What is the SMILES notation for N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide?

The canonical SMILES for N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide is CCCCN(CCO)C(=O)c1ccc(-c2ccc(OCC3CCN(CC(C)(C)F)CC3)cc2)cc1.

What is the InChIKey of N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide?

The InChIKey is QXIGUYXDFMTICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41FN2O3/c1-4-5-16-32(19-20-33)28(34)26-8-6-24(7-9-26)25-10-12-27(13-11-25)35-21-23-14-17-31(18-15-23)22-29(2,3)30/h6-13,23,33H,4-5,14-22H2,1-3H3.

What are the key properties of N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide?

N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide has a molecular weight of 484.66 g/mol, XLogP of 5.43, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-4-[4-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methoxy]phenyl]-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 72700685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).