N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide

C30H35FN4O4 — CID 42709715

IUPACN-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CCN(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)CC2)c(OC)c1
InChIInChI=1S/C30H35FN4O4/c1-22-4-8-24(9-5-22)29(36)35(21-23-6-10-25(31)11-7-23)19-16-33-14-17-34(18-15-33)30(37)32-27-13-12-26(38-2)20-28(27)39-3/h4-13,20H,14-19,21H2,1-3H3,(H,32,37)
InChIKeyCTXDPFPDUREPAE-UHFFFAOYSA-N
MW534.63 g/mol
LogP4.64
Rot. Bonds9

About N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide

N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide (PubChem CID 42709715) has the molecular formula C30H35FN4O4 and a molecular weight of 534.63 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
PubChem CID42709715
Molecular FormulaC30H35FN4O4
Molecular Weight534.63 g/mol
Exact Mass534.26
IUPAC NameN-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(CCN(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)CC2)c(OC)c1
InChIInChI=1S/C30H35FN4O4/c1-22-4-8-24(9-5-22)29(36)35(21-23-6-10-25(31)11-7-23)19-16-33-14-17-34(18-15-33)30(37)32-27-13-12-26(38-2)20-28(27)39-3/h4-13,20H,14-19,21H2,1-3H3,(H,32,37)
InChIKeyCTXDPFPDUREPAE-UHFFFAOYSA-N
XLogP4.64
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.63
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-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-(2,4-difluorophenyl)-4-[2-[(4-fluorophenyl)methyl-(3,4,5-trimethoxybenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 42709830
N-(4-ethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 42709716
N-(2-bromophenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide
CID 1061079
N-(2,4-dimethoxyphenyl)-4-[3-(dimethylamino)propyl]piperazine-1-carboxamide
CID 113106186
ethyl 2-[[4-[2-[(4-fluorophenyl)methyl-(3,4,5-trimethoxybenzoyl)amino]ethyl]piperazine-1-carbonyl]amino]acetate
CID 42709833
4-[2-(4-fluorophenyl)ethyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113109129
4-[2-[3,3-dimethylbutanoyl-[(4-fluorophenyl)methyl]amino]ethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 42709882
N-[2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]ethyl]-N-[(4-fluorophenyl)methyl]-4-methylbenzamide
CID 42709697
4-[2-[(3-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]ethyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 42710306
4-[2-(cyclohexen-1-yl)ethyl]-N-(2,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 113104746
4-[2-[(3-chlorobenzoyl)-[(4-fluorophenyl)methyl]amino]ethyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 42710305
N-(2,4-dimethoxyphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113114029

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide (CID 42709715) is N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(CCN(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)CC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide?
The InChIKey is CTXDPFPDUREPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O4/c1-22-4-8-24(9-5-22)29(36)35(21-23-6-10-25(31)11-7-23)19-16-33-14-17-34(18-15-33)30(37)32-27-13-12-26(38-2)20-28(27)39-3/h4-13,20H,14-19,21H2,1-3H3,(H,32,37).
What are the key properties of N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide?
N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide has a molecular weight of 534.63 g/mol, XLogP of 4.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-4-[2-[(4-fluorophenyl)methyl-(4-methylbenzoyl)amino]ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 42709715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).