4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide

C29H32F2N6O2 — CID 4087050

IUPAC4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H32F2N6O2/c1-21-2-7-24(32-28(38)36-16-12-34(13-17-36)25-8-3-22(30)4-9-25)20-27(21)33-29(39)37-18-14-35(15-19-37)26-10-5-23(31)6-11-26/h2-11,20H,12-19H2,1H3,(H,32,38)(H,33,39)
InChIKeyVWDWNHOBSPRFFE-UHFFFAOYSA-N
MW534.61 g/mol
LogP4.98
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide (PubChem CID 4087050) has the molecular formula C29H32F2N6O2 and a molecular weight of 534.61 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
PubChem CID4087050
Molecular FormulaC29H32F2N6O2
Molecular Weight534.61 g/mol
Exact Mass534.26
IUPAC Name4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C29H32F2N6O2/c1-21-2-7-24(32-28(38)36-16-12-34(13-17-36)25-8-3-22(30)4-9-25)20-27(21)33-29(39)37-18-14-35(15-19-37)26-10-5-23(31)6-11-26/h2-11,20H,12-19H2,1H3,(H,32,38)(H,33,39)
InChIKeyVWDWNHOBSPRFFE-UHFFFAOYSA-N
XLogP4.98
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
CID 47041624
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
N-(3-chloro-4-methoxyphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108989593
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
N-(5-acetamido-2-methylphenyl)morpholine-4-carboxamide
CID 47041767

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide (CID 4087050) is 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide?
The InChIKey is VWDWNHOBSPRFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6O2/c1-21-2-7-24(32-28(38)36-16-12-34(13-17-36)25-8-3-22(30)4-9-25)20-27(21)33-29(39)37-18-14-35(15-19-37)26-10-5-23(31)6-11-26/h2-11,20H,12-19H2,1H3,(H,32,38)(H,33,39).
What are the key properties of 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide has a molecular weight of 534.61 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 4087050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).