4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide

C20H28F3N3O — CID 120811457

IUPAC4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)18(26-12-10-24-11-13-26)14-25-19(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,16-18,24H,6-14H2,(H,25,27)
InChIKeyUVUYXJQSNOYQKV-UHFFFAOYSA-N
MW383.46 g/mol
LogP2.91
Rot. Bonds5

About 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide

4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide (PubChem CID 120811457) has the molecular formula C20H28F3N3O and a molecular weight of 383.46 g/mol. Its IUPAC name is 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
PubChem CID120811457
Molecular FormulaC20H28F3N3O
Molecular Weight383.46 g/mol
Exact Mass383.22
IUPAC Name4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C20H28F3N3O/c21-20(22,23)18(26-12-10-24-11-13-26)14-25-19(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,16-18,24H,6-14H2,(H,25,27)
InChIKeyUVUYXJQSNOYQKV-UHFFFAOYSA-N
XLogP2.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.46
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
CID 120812289
2,2-difluoro-2-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811647
2,2-dimethyl-3-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120811075
3-cyclopropyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)thiophene-2-carboxamide
CID 120811281
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1H-pyrrole-3-carboxamide
CID 120811961
2-anilino-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzamide
CID 120811339
1-propanoyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-3-carboxamide;hydrochloride
CID 120812924
1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120813021
2-(4-methylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)oxane-3-carboxamide
CID 120812341
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 120810635

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide (CID 120811457) is 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide?
The InChIKey is UVUYXJQSNOYQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3N3O/c21-20(22,23)18(26-12-10-24-11-13-26)14-25-19(27)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-5,16-18,24H,6-14H2,(H,25,27).
What are the key properties of 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide?
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide has a molecular weight of 383.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120811457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).