2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

C25H31FN4O3 — CID 55840290

IUPAC2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)cc1F
InChIInChI=1S/C25H31FN4O3/c1-17(2)15-27-24(32)20-6-4-5-7-22(20)28-23(31)16-29-10-12-30(13-11-29)25(33)19-9-8-18(3)21(26)14-19/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyDJPQPIVWVPLTQS-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.92
Rot. Bonds7

About 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide

2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (PubChem CID 55840290) has the molecular formula C25H31FN4O3 and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
PubChem CID55840290
Molecular FormulaC25H31FN4O3
Molecular Weight454.55 g/mol
Exact Mass454.24
IUPAC Name2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)cc1F
InChIInChI=1S/C25H31FN4O3/c1-17(2)15-27-24(32)20-6-4-5-7-22(20)28-23(31)16-29-10-12-30(13-11-29)25(33)19-9-8-18(3)21(26)14-19/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyDJPQPIVWVPLTQS-UHFFFAOYSA-N
XLogP2.92
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55840022
3-fluoro-4-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34732619
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(2-phenylphenyl)acetamide
CID 60514292
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]-N-(4-fluorophenyl)benzamide
CID 36876914
N-(3,4-difluorophenyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55839650
N-(2-fluorophenyl)-2-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 78898984
2-[[2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetyl]amino]benzamide
CID 36877900
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 60514264
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 36875625
2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 60503003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide (CID 55840290) is 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccccc3C(=O)NCC(C)C)CC2)cc1F.
What is the InChIKey of 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
The InChIKey is DJPQPIVWVPLTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN4O3/c1-17(2)15-27-24(32)20-6-4-5-7-22(20)28-23(31)16-29-10-12-30(13-11-29)25(33)19-9-8-18(3)21(26)14-19/h4-9,14,17H,10-13,15-16H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide?
2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide has a molecular weight of 454.55 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetyl]amino]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 55840290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).