3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile

C19H24BrN3O — CID 133409421

IUPAC3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(NC2CCN(C(=O)C3CCCCC3)CC2)c(Br)c1
InChIInChI=1S/C19H24BrN3O/c20-17-12-14(13-21)6-7-18(17)22-16-8-10-23(11-9-16)19(24)15-4-2-1-3-5-15/h6-7,12,15-16,22H,1-5,8-11H2
InChIKeyAWMGDDCLCKZMJX-UHFFFAOYSA-N
MW390.33 g/mol
LogP4.30
Rot. Bonds3

About 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile

3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile (PubChem CID 133409421) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile.

Molecular Properties

Compound Name3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile
PubChem CID133409421
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile
SMILESN#Cc1ccc(NC2CCN(C(=O)C3CCCCC3)CC2)c(Br)c1
InChIInChI=1S/C19H24BrN3O/c20-17-12-14(13-21)6-7-18(17)22-16-8-10-23(11-9-16)19(24)15-4-2-1-3-5-15/h6-7,12,15-16,22H,1-5,8-11H2
InChIKeyAWMGDDCLCKZMJX-UHFFFAOYSA-N
XLogP4.30
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile 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

5-cyano-2-(cyclopentylamino)benzoic acid
CID 22467532
3-bromo-4-[(3-hydroxycyclobutyl)amino]benzonitrile
CID 82798190
2-(2-bromo-4-cyanoanilino)-N-cycloheptylacetamide
CID 107789569
1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 82797388
N-(2-bromo-4-cyanophenyl)cyclopentanesulfonamide
CID 103580550
tert-butyl 4-[2-(2-bromophenoxy)-4-cyanoanilino]piperidine-1-carboxylate
CID 59809564
tert-butyl 4-(4-cyano-2-nitrosoanilino)piperidine-1-carboxylate
CID 143720503
4-(1-azabicyclo[2.2.2]octan-3-ylamino)-3-bromobenzonitrile
CID 43722925
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-[(2-aminocyclopentyl)amino]-3-bromobenzonitrile
CID 82809375
3-bromo-4-[(3-ethylcyclopentyl)amino]benzonitrile
CID 64502119
3-bromo-4-(2-piperidin-1-ylpropylamino)benzonitrile
CID 82797280

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile?
The IUPAC name of 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile (CID 133409421) is 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile.
What is the SMILES notation for 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile?
The canonical SMILES for 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile is N#Cc1ccc(NC2CCN(C(=O)C3CCCCC3)CC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile?
The InChIKey is AWMGDDCLCKZMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c20-17-12-14(13-21)6-7-18(17)22-16-8-10-23(11-9-16)19(24)15-4-2-1-3-5-15/h6-7,12,15-16,22H,1-5,8-11H2.
What are the key properties of 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile?
3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile has a molecular weight of 390.33 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]benzonitrile is sourced from PubChem (CID 133409421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).