N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide

C23H32Cl2F2N4O — CID 156704363

IUPACN-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide
SMILESCC1(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CCC(NC(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C23H32Cl2F2N4O/c1-22(7-5-17(6-8-22)28-21(32)31-15-23(26,27)16-31)9-10-29-11-13-30(14-12-29)19-4-2-3-18(24)20(19)25/h2-4,17H,5-16H2,1H3,(H,28,32)
InChIKeyFQMJGNUPVKJIJU-UHFFFAOYSA-N
MW489.44 g/mol
LogP5.11
Rot. Bonds5

About N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide

N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide (PubChem CID 156704363) has the molecular formula C23H32Cl2F2N4O and a molecular weight of 489.44 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide
PubChem CID156704363
Molecular FormulaC23H32Cl2F2N4O
Molecular Weight489.44 g/mol
Exact Mass488.19
IUPAC NameN-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide
SMILESCC1(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CCC(NC(=O)N2CC(F)(F)C2)CC1
InChIInChI=1S/C23H32Cl2F2N4O/c1-22(7-5-17(6-8-22)28-21(32)31-15-23(26,27)16-31)9-10-29-11-13-30(14-12-29)19-4-2-3-18(24)20(19)25/h2-4,17H,5-16H2,1H3,(H,28,32)
InChIKeyFQMJGNUPVKJIJU-UHFFFAOYSA-N
XLogP5.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.44
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide 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-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704383
1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea
CID 156704203
3-[4-[2-[4-(2-chloro-3-methylphenyl)piperazin-1-yl]ethyl]-4-fluorocyclohexyl]-1,1-dimethylurea
CID 156704255
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-bicyclo[2.2.2]octanyl]-3-ethylurea
CID 156704182
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
tert-butyl N-[4-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]cyclohexyl]carbamate
CID 72736382
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide (CID 156704363) is N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide is CC1(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CCC(NC(=O)N2CC(F)(F)C2)CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide?
The InChIKey is FQMJGNUPVKJIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32Cl2F2N4O/c1-22(7-5-17(6-8-22)28-21(32)31-15-23(26,27)16-31)9-10-29-11-13-30(14-12-29)19-4-2-3-18(24)20(19)25/h2-4,17H,5-16H2,1H3,(H,28,32).
What are the key properties of N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide?
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide has a molecular weight of 489.44 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-4-methylcyclohexyl]-3,3-difluoroazetidine-1-carboxamide is sourced from PubChem (CID 156704363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).