4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide

C18H24F3N3OS — CID 78874664

IUPAC4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)13-26-16-8-4-3-7-15(16)22-17(25)24-11-9-23(10-12-24)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,22,25)
InChIKeyHEHPOLWXKVIVOW-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.43
Rot. Bonds4

About 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide

4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide (PubChem CID 78874664) has the molecular formula C18H24F3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide
PubChem CID78874664
Molecular FormulaC18H24F3N3OS
Molecular Weight387.47 g/mol
Exact Mass387.16
IUPAC Name4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccccc1SCC(F)(F)F)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)13-26-16-8-4-3-7-15(16)22-17(25)24-11-9-23(10-12-24)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,22,25)
InChIKeyHEHPOLWXKVIVOW-UHFFFAOYSA-N
XLogP4.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylsulfanylphenyl)-4-(thian-4-yl)piperazine-1-carboxamide
CID 74241674
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082
2-chloro-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 43167988
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471
4-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
2-(4-cyclopentylpiperazin-1-yl)-N-(2-prop-2-enylsulfanylphenyl)acetamide
CID 86928063
N-(2-bromophenyl)-4-cyclopropylpiperazine-1-carboxamide
CID 113103489
4-cyclopentyl-N-[2-(2,3-dihydroindol-1-yl)phenyl]piperazine-1-carboxamide
CID 112825895
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
1-(benzenesulfonyl)-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 16609522

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide (CID 78874664) is 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide is O=C(Nc1ccccc1SCC(F)(F)F)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide?
The InChIKey is HEHPOLWXKVIVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3OS/c19-18(20,21)13-26-16-8-4-3-7-15(16)22-17(25)24-11-9-23(10-12-24)14-5-1-2-6-14/h3-4,7-8,14H,1-2,5-6,9-13H2,(H,22,25).
What are the key properties of 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide?
4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 78874664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).