N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide

C24H29ClF3N3O2 — CID 156704372

IUPACN-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)CC1)c1ccco1
InChIInChI=1S/C24H29ClF3N3O2/c25-22-19(24(26,27)28)3-1-4-20(22)31-14-12-30(13-15-31)11-10-17-6-8-18(9-7-17)29-23(32)21-5-2-16-33-21/h1-5,16-18H,6-15H2,(H,29,32)
InChIKeyNEXJQSQHTBKYDF-UHFFFAOYSA-N
MW483.96 g/mol
LogP5.45
Rot. Bonds6

About N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide

N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide (PubChem CID 156704372) has the molecular formula C24H29ClF3N3O2 and a molecular weight of 483.96 g/mol. Its IUPAC name is N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
PubChem CID156704372
Molecular FormulaC24H29ClF3N3O2
Molecular Weight483.96 g/mol
Exact Mass483.19
IUPAC NameN-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)CC1)c1ccco1
InChIInChI=1S/C24H29ClF3N3O2/c25-22-19(24(26,27)28)3-1-4-20(22)31-14-12-30(13-15-31)11-10-17-6-8-18(9-7-17)29-23(32)21-5-2-16-33-21/h1-5,16-18H,6-15H2,(H,29,32)
InChIKeyNEXJQSQHTBKYDF-UHFFFAOYSA-N
XLogP5.45
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.96
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 156704246
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
N-[4-(2-hydroxyethyl)cyclohexyl]furan-2-carboxamide
CID 115270358
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870
1-cyclopropyl-3-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-1-methylcyclohexyl]urea
CID 156704203
acetic acid;N-[3-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclobutyl]-1,3-oxazole-2-carboxamide
CID 175513254
1-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 11365069
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]piperidine-1-carboxylic acid
CID 142773095
[4-[2-[4-(1-benzothiophen-7-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
CID 170434119
methyl 2-[4-(furan-2-carbonylamino)cyclohexyl]acetate
CID 115270327
N-(4-bromocyclohexyl)furan-2-carboxamide
CID 114309141

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?
The IUPAC name of N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide (CID 156704372) is N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide is O=C(NC1CCC(CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)CC1)c1ccco1.
What is the InChIKey of N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?
The InChIKey is NEXJQSQHTBKYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF3N3O2/c25-22-19(24(26,27)28)3-1-4-20(22)31-14-12-30(13-15-31)11-10-17-6-8-18(9-7-17)29-23(32)21-5-2-16-33-21/h1-5,16-18H,6-15H2,(H,29,32).
What are the key properties of N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide?
N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 156704372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).