N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide

C29H28ClF3N4O3 — CID 74229224

IUPACN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C29H28ClF3N4O3/c30-22-11-7-20(8-12-22)25(38)35-17-18-36-27(40)28(13-15-34-16-14-28)37-26(39)24-4-2-1-3-23(24)19-5-9-21(10-6-19)29(31,32)33/h1-12,34H,13-18H2,(H,35,38)(H,36,40)(H,37,39)
InChIKeyKRTNPBPICTWMOI-UHFFFAOYSA-N
MW573.02 g/mol
LogP4.42
Rot. Bonds8

About N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide

N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide (PubChem CID 74229224) has the molecular formula C29H28ClF3N4O3 and a molecular weight of 573.02 g/mol. Its IUPAC name is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide
PubChem CID74229224
Molecular FormulaC29H28ClF3N4O3
Molecular Weight573.02 g/mol
Exact Mass572.18
IUPAC NameN-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C29H28ClF3N4O3/c30-22-11-7-20(8-12-22)25(38)35-17-18-36-27(40)28(13-15-34-16-14-28)37-26(39)24-4-2-1-3-23(24)19-5-9-21(10-6-19)29(31,32)33/h1-12,34H,13-18H2,(H,35,38)(H,36,40)(H,37,39)
InChIKeyKRTNPBPICTWMOI-UHFFFAOYSA-N
XLogP4.42
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.02
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-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

Eragidomide
CID 118647211
N-(1-(4-chlorophenyl)-3-(dimethylamino)propyl)-4-phenylbenzamide
CID 11663047
N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-[4-(4-fluoropiperidin-4-yl)phenyl]benzamide
CID 11496335
N-[(E)-(R)-3-(1-Carbamoyl-cyclohexylcarbamoyl)-1-(4-chloro-benzyl)-allyl]-N-methyl-3,5-bis-trifluoromethyl-benzamide
CID 44335318
4-chloro-N-[(2S)-1-oxo-1-[[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]amino]-3-phenylpropan-2-yl]benzamide
CID 155566273
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-2-fluorobenzamide
CID 2474665
N-({[1-(4-Chloro-benzyl)-piperidin-4-ylmethyl]-carbamoyl}-methyl)-3-trifluoromethyl-benzamide
CID 508750
N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 2932493
4''''-Chloro-biphenyl-4-carboxylic acid (1-benzyl-pyrrolidin-3-yl)-amide
CID 9821803
N-[2-[[(1S,2S)-2-[(4-chlorophenyl)methylamino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 9956260
4-[(4-Chloro-phenyl)-piperazin-1-yl-methyl]-N,N-diethyl-benzamide
CID 10786358
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-4-(trifluoromethyl)benzamide
CID 11589093

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide?
The IUPAC name of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide (CID 74229224) is N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide is O=C(NCCNC(=O)C1(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide?
The InChIKey is KRTNPBPICTWMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28ClF3N4O3/c30-22-11-7-20(8-12-22)25(38)35-17-18-36-27(40)28(13-15-34-16-14-28)37-26(39)24-4-2-1-3-23(24)19-5-9-21(10-6-19)29(31,32)33/h1-12,34H,13-18H2,(H,35,38)(H,36,40)(H,37,39).
What are the key properties of N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide?
N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide has a molecular weight of 573.02 g/mol, XLogP of 4.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorobenzoyl)amino]ethyl]-4-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]piperidine-4-carboxamide is sourced from PubChem (CID 74229224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).