1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

C37H37F3N4O2 — CID 67652410

IUPAC1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCC(c1ccc(NC(=O)c2ccccc2-c2ccccn2)c2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCCC1
InChIInChI=1S/C37H37F3N4O2/c1-2-12-31(44-21-10-3-11-22-44)28-18-19-30(43-35(45)27-16-7-4-13-24(27)29-17-8-9-20-41-29)32-25-14-5-6-15-26(25)34(33(28)32)36(46)42-23-37(38,39)40/h4-9,13-20,31,34H,2-3,10-12,21-23H2,1H3,(H,42,46)(H,43,45)
InChIKeyAUEAWKBBRZOAIC-UHFFFAOYSA-N
MW626.72 g/mol
LogP8.12
Rot. Bonds9

About 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide

1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (PubChem CID 67652410) has the molecular formula C37H37F3N4O2 and a molecular weight of 626.72 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.

Molecular Properties

Compound Name1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
PubChem CID67652410
Molecular FormulaC37H37F3N4O2
Molecular Weight626.72 g/mol
Exact Mass626.29
IUPAC Name1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
SMILESCCCC(c1ccc(NC(=O)c2ccccc2-c2ccccn2)c2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCCC1
InChIInChI=1S/C37H37F3N4O2/c1-2-12-31(44-21-10-3-11-22-44)28-18-19-30(43-35(45)27-16-7-4-13-24(27)29-17-8-9-20-41-29)32-25-14-5-6-15-26(25)34(33(28)32)36(46)42-23-37(38,39)40/h4-9,13-20,31,34H,2-3,10-12,21-23H2,1H3,(H,42,46)(H,43,45)
InChIKeyAUEAWKBBRZOAIC-UHFFFAOYSA-N
XLogP8.12
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.72
LogP ≤ 58.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-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-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The IUPAC name of 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide (CID 67652410) is 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide.
What is the SMILES notation for 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The canonical SMILES for 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is CCCC(c1ccc(NC(=O)c2ccccc2-c2ccccn2)c2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2)N1CCCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
The InChIKey is AUEAWKBBRZOAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37F3N4O2/c1-2-12-31(44-21-10-3-11-22-44)28-18-19-30(43-35(45)27-16-7-4-13-24(27)29-17-8-9-20-41-29)32-25-14-5-6-15-26(25)34(33(28)32)36(46)42-23-37(38,39)40/h4-9,13-20,31,34H,2-3,10-12,21-23H2,1H3,(H,42,46)(H,43,45).
What are the key properties of 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide?
1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide has a molecular weight of 626.72 g/mol, XLogP of 8.12, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylbutyl)-4-[(2-pyridin-2-ylbenzoyl)amino]-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide is sourced from PubChem (CID 67652410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).