N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide

C25H36FN3O2 — CID 126712084

IUPACN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide
SMILESCc1c(NC(=O)C2CCCC2C)ccc(F)c1CN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H36FN3O2/c1-17-6-5-9-20(17)24(30)27-23-11-10-22(26)21(18(23)2)16-28-12-14-29(15-13-28)25(31)19-7-3-4-8-19/h10-11,17,19-20H,3-9,12-16H2,1-2H3,(H,27,30)
InChIKeyHLYPKQAHOPIUIS-UHFFFAOYSA-N
MW429.58 g/mol
LogP4.34
Rot. Bonds5

About N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide

N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 126712084) has the molecular formula C25H36FN3O2 and a molecular weight of 429.58 g/mol. Its IUPAC name is N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide
PubChem CID126712084
Molecular FormulaC25H36FN3O2
Molecular Weight429.58 g/mol
Exact Mass429.28
IUPAC NameN-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide
SMILESCc1c(NC(=O)C2CCCC2C)ccc(F)c1CN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C25H36FN3O2/c1-17-6-5-9-20(17)24(30)27-23-11-10-22(26)21(18(23)2)16-28-12-14-29(15-13-28)25(31)19-7-3-4-8-19/h10-11,17,19-20H,3-9,12-16H2,1-2H3,(H,27,30)
InChIKeyHLYPKQAHOPIUIS-UHFFFAOYSA-N
XLogP4.34
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.58
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 90209437
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 118452267
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 90204623
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-(2-iodophenyl)acetamide
CID 130451286
(2R)-N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methoxy-2-phenylacetamide
CID 118452302
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]benzamide
CID 130451217
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
3-cyano-N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluorobenzamide
CID 126712151
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
1-[(2-chloro-6-fluorophenyl)methyl]-N-(2,3-dimethylphenyl)piperidine-4-carboxamide
CID 53284671
2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide
CID 86850419
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 78788936

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide (CID 126712084) is N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide is Cc1c(NC(=O)C2CCCC2C)ccc(F)c1CN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is HLYPKQAHOPIUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN3O2/c1-17-6-5-9-20(17)24(30)27-23-11-10-22(26)21(18(23)2)16-28-12-14-29(15-13-28)25(31)19-7-3-4-8-19/h10-11,17,19-20H,3-9,12-16H2,1-2H3,(H,27,30).
What are the key properties of N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide?
N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 429.58 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 126712084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).