(Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide

C38H44F3N3O2 — CID 142276863

IUPAC(Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide
SMILESC/C=C\C.CC1=CC(CCCCN2CCC(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)(C(N)=O)c2ccccc21
InChIInChI=1S/C34H36F3N3O2.C4H8/c1-23-22-33(32(38)42,30-11-5-4-8-27(23)30)18-6-7-19-40-20-16-26(17-21-40)39-31(41)29-10-3-2-9-28(29)24-12-14-25(15-13-24)34(35,36)37;1-3-4-2/h2-5,8-15,22,26H,6-7,16-21H2,1H3,(H2,38,42)(H,39,41);3-4H,1-2H3/b;4-3-
InChIKeyCUKXXBFPVGSKRD-QGAMPUOQSA-N
MW631.78 g/mol
LogP8.16
Rot. Bonds9

About (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide

(Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide (PubChem CID 142276863) has the molecular formula C38H44F3N3O2 and a molecular weight of 631.78 g/mol. Its IUPAC name is (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide.

Molecular Properties

Compound Name(Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide
PubChem CID142276863
Molecular FormulaC38H44F3N3O2
Molecular Weight631.78 g/mol
Exact Mass631.34
IUPAC Name(Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide
SMILESC/C=C\C.CC1=CC(CCCCN2CCC(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)(C(N)=O)c2ccccc21
InChIInChI=1S/C34H36F3N3O2.C4H8/c1-23-22-33(32(38)42,30-11-5-4-8-27(23)30)18-6-7-19-40-20-16-26(17-21-40)39-31(41)29-10-3-2-9-28(29)24-12-14-25(15-13-24)34(35,36)37;1-3-4-2/h2-5,8-15,22,26H,6-7,16-21H2,1H3,(H2,38,42)(H,39,41);3-4H,1-2H3/b;4-3-
InChIKeyCUKXXBFPVGSKRD-QGAMPUOQSA-N
XLogP8.16
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.78
LogP ≤ 58.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-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

Related Compounds

N-[1-[4-(2,6-diethoxyanilino)butyl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139949097
N-[1-[4-[4-[2,6-bis(methylsulfanyl)phenyl]butanoylamino]butyl]piperidin-4-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139949137
methyl 3-methyl-3-phenyl-7-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]heptanoate
CID 22995675
ethyl 3-methyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995560
9-[4-[4-[[5-chloro-2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 19705176
methyl 3-ethyl-3-phenyl-7-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]heptanoate
CID 22995521
butyl 3-ethyl-3-phenyl-6-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]hexanoate
CID 22995586
propyl 3-ethyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995694
methyl 3-ethyl-3-(4-fluorophenyl)-6-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]hexanoate
CID 22995602
2-ethoxyethyl 3-methyl-3-phenyl-6-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]hexanoate
CID 70027950
methyl 3-ethyl-3-phenyl-5-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]pentanoate
CID 22995535
2-methyl-N-[1-[2-[4-(trifluoromethyl)phenyl]benzoyl]piperidin-4-yl]benzamide
CID 39511855

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide?
The IUPAC name of (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide (CID 142276863) is (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide.
What is the SMILES notation for (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide?
The canonical SMILES for (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide is C/C=C\C.CC1=CC(CCCCN2CCC(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)CC2)(C(N)=O)c2ccccc21.
What is the InChIKey of (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide?
The InChIKey is CUKXXBFPVGSKRD-QGAMPUOQSA-N. The full InChI is InChI=1S/C34H36F3N3O2.C4H8/c1-23-22-33(32(38)42,30-11-5-4-8-27(23)30)18-6-7-19-40-20-16-26(17-21-40)39-31(41)29-10-3-2-9-28(29)24-12-14-25(15-13-24)34(35,36)37;1-3-4-2/h2-5,8-15,22,26H,6-7,16-21H2,1H3,(H2,38,42)(H,39,41);3-4H,1-2H3/b;4-3-.
What are the key properties of (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide?
(Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide has a molecular weight of 631.78 g/mol, XLogP of 8.16, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;3-methyl-1-[4-[4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidin-1-yl]butyl]indene-1-carboxamide is sourced from PubChem (CID 142276863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).