N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide

C28H28F7N3O2 — CID 139998658

IUPACN-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccc(F)cc2)C1)C1CC1
InChIInChI=1S/C28H28F7N3O2/c29-21-5-3-16(4-6-21)23-15-38(10-8-24(23)37-9-7-22(14-37)36-25(39)17-1-2-17)26(40)18-11-19(27(30,31)32)13-20(12-18)28(33,34)35/h3-6,11-13,17,22-24H,1-2,7-10,14-15H2,(H,36,39)
InChIKeyIJUNKCOZDSCVLO-UHFFFAOYSA-N
MW571.54 g/mol
LogP5.46
Rot. Bonds5

About N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 139998658) has the molecular formula C28H28F7N3O2 and a molecular weight of 571.54 g/mol. Its IUPAC name is N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID139998658
Molecular FormulaC28H28F7N3O2
Molecular Weight571.54 g/mol
Exact Mass571.21
IUPAC NameN-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccc(F)cc2)C1)C1CC1
InChIInChI=1S/C28H28F7N3O2/c29-21-5-3-16(4-6-21)23-15-38(10-8-24(23)37-9-7-22(14-37)36-25(39)17-1-2-17)26(40)18-11-19(27(30,31)32)13-20(12-18)28(33,34)35/h3-6,11-13,17,22-24H,1-2,7-10,14-15H2,(H,36,39)
InChIKeyIJUNKCOZDSCVLO-UHFFFAOYSA-N
XLogP5.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.54
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide 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 N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 139998658) is N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide is O=C(NC1CCN(C2CCN(C(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2c2ccc(F)cc2)C1)C1CC1.
What is the InChIKey of N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is IJUNKCOZDSCVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F7N3O2/c29-21-5-3-16(4-6-21)23-15-38(10-8-24(23)37-9-7-22(14-37)36-25(39)17-1-2-17)26(40)18-11-19(27(30,31)32)13-20(12-18)28(33,34)35/h3-6,11-13,17,22-24H,1-2,7-10,14-15H2,(H,36,39).
What are the key properties of N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 571.54 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[3,5-bis(trifluoromethyl)benzoyl]-3-(4-fluorophenyl)piperidin-4-yl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 139998658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).