3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide

C30H32F5N5O — CID 59049924

About 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide

3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide (PubChem CID 59049924) has the molecular formula C30H32F5N5O and a molecular weight of 573.61 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide
• PubChem CID: 59049924
• Molecular Formula: C30H32F5N5O
• Molecular Weight: 573.61 g/mol
• Exact Mass: 573.25
• IUPAC Name: 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide
• SMILES: O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2c2ncn[nH]2)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
• InChI: InChI=1S/C30H32F5N5O/c31-22-3-1-19(2-4-22)20-6-9-40(10-7-20)24-5-8-29(15-24,26-14-25(26)27-37-17-38-39-27)28(41)36-16-18-11-21(30(33,34)35)13-23(32)12-18/h1-4,11-13,17,20,24-26H,5-10,14-16H2,(H,36,41)(H,37,38,39)
• InChIKey: HUIUXMOLRKQZSU-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	573.61
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

The IUPAC name of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide (CID 59049924) is 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide.

What is the SMILES notation for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

The canonical SMILES for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide is O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1(C2CC2c2ncn[nH]2)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.

What is the InChIKey of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

The InChIKey is HUIUXMOLRKQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F5N5O/c31-22-3-1-19(2-4-22)20-6-9-40(10-7-20)24-5-8-29(15-24,26-14-25(26)27-37-17-38-39-27)28(41)36-16-18-11-21(30(33,34)35)13-23(32)12-18/h1-4,11-13,17,20,24-26H,5-10,14-16H2,(H,36,41)(H,37,38,39).

What are the key properties of 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide?

3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide has a molecular weight of 573.61 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-[2-(1H-1,2,4-triazol-5-yl)cyclopropyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 59049924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).