N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

C₁₇H₁₈F₆N₂O — CID 46548552

About N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide

N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide (PubChem CID 46548552) has the molecular formula C₁₇H₁₈F₆N₂O and a molecular weight of 380.33 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
• PubChem CID: 46548552
• Molecular Formula: C₁₇H₁₈F₆N₂O
• Molecular Weight: 380.33 g/mol
• Exact Mass: 380.13
• IUPAC Name: N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide
• SMILES: O=C(NC1CCN(C2CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C17H18F6N2O/c18-16(19,20)11-7-10(8-12(9-11)17(21,22)23)15(26)24-13-3-5-25(6-4-13)14-1-2-14/h7-9,13-14H,1-6H2,(H,24,26)
• InChIKey: NVFUHRORCYSVFE-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.33
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?

The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide (CID 46548552) is N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide.

What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?

The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide is O=C(NC1CCN(C2CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?

The InChIKey is NVFUHRORCYSVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F6N2O/c18-16(19,20)11-7-10(8-12(9-11)17(21,22)23)15(26)24-13-3-5-25(6-4-13)14-1-2-14/h7-9,13-14H,1-6H2,(H,24,26).

What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide?

N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 380.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylpiperidin-4-yl)-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 46548552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46548552 — identifiers, structure, computed properties (public domain)

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