5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide

C27H28FN3O2 — CID 155228042

IUPAC5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide
SMILESCc1c(C=C2CCN(C(=O)C3CCCC3)CC2)cccc1NC(=O)c1cc(C#N)ccc1F
InChIInChI=1S/C27H28FN3O2/c1-18-22(15-19-11-13-31(14-12-19)27(33)21-5-2-3-6-21)7-4-8-25(18)30-26(32)23-16-20(17-29)9-10-24(23)28/h4,7-10,15-16,21H,2-3,5-6,11-14H2,1H3,(H,30,32)
InChIKeyITBCUVFDDHSRNK-UHFFFAOYSA-N
MW445.54 g/mol
LogP5.45
Rot. Bonds4

About 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide

5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide (PubChem CID 155228042) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide
PubChem CID155228042
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide
SMILESCc1c(C=C2CCN(C(=O)C3CCCC3)CC2)cccc1NC(=O)c1cc(C#N)ccc1F
InChIInChI=1S/C27H28FN3O2/c1-18-22(15-19-11-13-31(14-12-19)27(33)21-5-2-3-6-21)7-4-8-25(18)30-26(32)23-16-20(17-29)9-10-24(23)28/h4,7-10,15-16,21H,2-3,5-6,11-14H2,1H3,(H,30,32)
InChIKeyITBCUVFDDHSRNK-UHFFFAOYSA-N
XLogP5.45
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.54
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide 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-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-3-cyanobenzenesulfonamide
CID 155227983
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyanopyridine-3-carboxamide
CID 155228058
N-[5-chloro-3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 155227931
N-[4-chloro-2-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-6-methylphenyl]-3-cyanobenzamide
CID 160962067
cyclopentyl(piperidin-1-yl)methanone;N-(3-ethyl-5-fluoro-2-methylphenyl)-2,5-difluorobenzamide
CID 144638888
N-[5-chloro-3-[[1-(3,3-difluorocyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-5-cyano-6-methylpyridine-3-carboxamide
CID 175060337
3-cyano-N-[3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethylpyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 118865568
tert-butyl 4-[[2-chloro-3-[(3-cyanobenzoyl)amino]phenyl]methylidene]piperidine-1-carboxylate
CID 155228037
3-cyano-N-[3-[[4-(cyclopentanecarbonyl)piperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-4-fluorobenzamide
CID 126712151
N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-cyano-2-fluorobenzamide
CID 2301869
3-cyano-N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2,3-dihydroindol-6-yl]benzamide
CID 155538714
N-(5-cyano-2-methylphenyl)-2-fluorobenzamide
CID 47475835

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide?
The IUPAC name of 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide (CID 155228042) is 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide?
The canonical SMILES for 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide is Cc1c(C=C2CCN(C(=O)C3CCCC3)CC2)cccc1NC(=O)c1cc(C#N)ccc1F.
What is the InChIKey of 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide?
The InChIKey is ITBCUVFDDHSRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c1-18-22(15-19-11-13-31(14-12-19)27(33)21-5-2-3-6-21)7-4-8-25(18)30-26(32)23-16-20(17-29)9-10-24(23)28/h4,7-10,15-16,21H,2-3,5-6,11-14H2,1H3,(H,30,32).
What are the key properties of 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide?
5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide has a molecular weight of 445.54 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[3-[[1-(cyclopentanecarbonyl)piperidin-4-ylidene]methyl]-2-methylphenyl]-2-fluorobenzamide is sourced from PubChem (CID 155228042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).