9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

C35H35F3N4O — CID 22640193

IUPAC9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C35H35F3N4O/c36-35(37,38)25-39-33(43)34(29-15-6-4-13-27(29)28-14-5-7-16-30(28)34)19-8-9-20-41-21-23-42(24-22-41)32-18-10-17-31(40-32)26-11-2-1-3-12-26/h1-7,10-18H,8-9,19-25H2,(H,39,43)
InChIKeyBRCNUYDGCMTBAH-UHFFFAOYSA-N
MW584.69 g/mol
LogP6.69
Rot. Bonds9

About 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide

9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (PubChem CID 22640193) has the molecular formula C35H35F3N4O and a molecular weight of 584.69 g/mol. Its IUPAC name is 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.

Molecular Properties

Compound Name9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
PubChem CID22640193
Molecular FormulaC35H35F3N4O
Molecular Weight584.69 g/mol
Exact Mass584.28
IUPAC Name9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
SMILESO=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)c2ccccc2-c2ccccc21
InChIInChI=1S/C35H35F3N4O/c36-35(37,38)25-39-33(43)34(29-15-6-4-13-27(29)28-14-5-7-16-30(28)34)19-8-9-20-41-21-23-42(24-22-41)32-18-10-17-31(40-32)26-11-2-1-3-12-26/h1-7,10-18H,8-9,19-25H2,(H,39,43)
InChIKeyBRCNUYDGCMTBAH-UHFFFAOYSA-N
XLogP6.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.69
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

9-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22640142
9-[4-(4-phenylpiperazin-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 15475487
9-[4-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22640149
N-(2,2,2-trifluoroethyl)-9-[4-[4-[3-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]butyl]fluorene-9-carboxamide
CID 22640147
9-[4-[4-(4-aminophenyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide;hydrochloride
CID 22640107
9-[4-[4-(5-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22636367
9-[4-(4-quinazolin-2-yl-1,4-diazepan-1-yl)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22636289
4-phenyl-N-[1-[4-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]butyl]piperidin-4-yl]pyridine-2-carboxamide
CID 19705141
2-[[9-[4-(4-quinolin-2-ylpiperazin-1-yl)butyl]fluorene-9-carbonyl]amino]acetic acid
CID 22636260
N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide
CID 22640125
9-[4-[4-(6-methylquinolin-2-yl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)xanthene-9-carboxamide
CID 22636324
9-[4-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891248

Frequently Asked Questions

What is the IUPAC name of 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The IUPAC name of 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide (CID 22640193) is 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide.
What is the SMILES notation for 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The canonical SMILES for 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is O=C(NCC(F)(F)F)C1(CCCCN2CCN(c3cccc(-c4ccccc4)n3)CC2)c2ccccc2-c2ccccc21.
What is the InChIKey of 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
The InChIKey is BRCNUYDGCMTBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35F3N4O/c36-35(37,38)25-39-33(43)34(29-15-6-4-13-27(29)28-14-5-7-16-30(28)34)19-8-9-20-41-21-23-42(24-22-41)32-18-10-17-31(40-32)26-11-2-1-3-12-26/h1-7,10-18H,8-9,19-25H2,(H,39,43).
What are the key properties of 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide?
9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide has a molecular weight of 584.69 g/mol, XLogP of 6.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[4-(6-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide is sourced from PubChem (CID 22640193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).