4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide

C22H27FN4O2 — CID 47041624

IUPAC4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c1-15(2)21(28)24-18-7-4-16(3)20(14-18)25-22(29)27-12-10-26(11-13-27)19-8-5-17(23)6-9-19/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeySGKRKSSFIVOECU-UHFFFAOYSA-N
MW398.48 g/mol
LogP4.08
Rot. Bonds4

About 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide

4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide (PubChem CID 47041624) has the molecular formula C22H27FN4O2 and a molecular weight of 398.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
PubChem CID47041624
Molecular FormulaC22H27FN4O2
Molecular Weight398.48 g/mol
Exact Mass398.21
IUPAC Name4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN4O2/c1-15(2)21(28)24-18-7-4-16(3)20(14-18)25-22(29)27-12-10-26(11-13-27)19-8-5-17(23)6-9-19/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)(H,25,29)
InChIKeySGKRKSSFIVOECU-UHFFFAOYSA-N
XLogP4.08
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
N-(5-acetamido-2-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86994575
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 9431500
2-methyl-N-[4-[4-(2-methylpropanoyl)piperazin-1-yl]phenyl]propanamide
CID 772363
4-(4-fluorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 52900101
N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108914650
N-(5-fluoro-2-methylphenyl)morpholine-4-carboxamide
CID 3250588
4-hydroxy-N-[3-[(4-hydroxypiperidine-1-carbonyl)amino]-4-methylphenyl]piperidine-1-carboxamide
CID 41296153
N-(5-amino-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide;dihydrochloride
CID 120569030
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 53371058
(2R)-N-(5-chloro-2-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]propanamide
CID 9431499
4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 95395014

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide (CID 47041624) is 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
The InChIKey is SGKRKSSFIVOECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O2/c1-15(2)21(28)24-18-7-4-16(3)20(14-18)25-22(29)27-12-10-26(11-13-27)19-8-5-17(23)6-9-19/h4-9,14-15H,10-13H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide?
4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide has a molecular weight of 398.48 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 47041624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).