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

C30H36F5N3O2 — CID 59888783

IUPAC1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(=O)NC(C)(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C30H36F5N3O2/c1-19(39)37-28(2,3)29(27(40)36-18-20-14-23(30(33,34)35)16-25(32)15-20)11-8-26(17-29)38-12-9-22(10-13-38)21-4-6-24(31)7-5-21/h4-7,14-16,22,26H,8-13,17-18H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyPPYTXXMVXHPKDG-UHFFFAOYSA-N
MW565.63 g/mol
LogP5.93
Rot. Bonds7

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

1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (PubChem CID 59888783) has the molecular formula C30H36F5N3O2 and a molecular weight of 565.63 g/mol. Its IUPAC name is 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
PubChem CID59888783
Molecular FormulaC30H36F5N3O2
Molecular Weight565.63 g/mol
Exact Mass565.27
IUPAC Name1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
SMILESCC(=O)NC(C)(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C30H36F5N3O2/c1-19(39)37-28(2,3)29(27(40)36-18-20-14-23(30(33,34)35)16-25(32)15-20)11-8-26(17-29)38-12-9-22(10-13-38)21-4-6-24(31)7-5-21/h4-7,14-16,22,26H,8-13,17-18H2,1-3H3,(H,36,40)(H,37,39)
InChIKeyPPYTXXMVXHPKDG-UHFFFAOYSA-N
XLogP5.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.63
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide (CID 59888783) is 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is CC(=O)NC(C)(C)C1(C(=O)NCc2cc(F)cc(C(F)(F)F)c2)CCC(N2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
The InChIKey is PPYTXXMVXHPKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F5N3O2/c1-19(39)37-28(2,3)29(27(40)36-18-20-14-23(30(33,34)35)16-25(32)15-20)11-8-26(17-29)38-12-9-22(10-13-38)21-4-6-24(31)7-5-21/h4-7,14-16,22,26H,8-13,17-18H2,1-3H3,(H,36,40)(H,37,39).
What are the key properties of 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide?
1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide has a molecular weight of 565.63 g/mol, XLogP of 5.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetamidopropan-2-yl)-3-[4-(4-fluorophenyl)piperidin-1-yl]-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 59888783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).