N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide

C27H33F3N4O2 — CID 54770382

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H33F3N4O2/c28-27(29,30)21-5-3-20(4-6-21)26(35)32-22-7-1-19(2-8-22)10-13-33-14-16-34(17-15-33)25-23-11-18-36-24(23)9-12-31-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,32,35)
InChIKeyJVTXPXRMOCVEDH-UHFFFAOYSA-N
MW502.58 g/mol
LogP4.54
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide (PubChem CID 54770382) has the molecular formula C27H33F3N4O2 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide
PubChem CID54770382
Molecular FormulaC27H33F3N4O2
Molecular Weight502.58 g/mol
Exact Mass502.26
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C27H33F3N4O2/c28-27(29,30)21-5-3-20(4-6-21)26(35)32-22-7-1-19(2-8-22)10-13-33-14-16-34(17-15-33)25-23-11-18-36-24(23)9-12-31-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,32,35)
InChIKeyJVTXPXRMOCVEDH-UHFFFAOYSA-N
XLogP4.54
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[7-[[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156014087
CID 72700713
CID 72700713
Pyridoimidazolone, 27f
CID 42625243
4-ethoxy-N-[2-oxo-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethyl]benzamide
CID 4793449
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-acetamide
CID 54768825
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-2-(trans-4-hydroxy-cyclohexyl)-acetamide
CID 54768826
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-2-[(1R,3R)-3-methoxycyclopentyl]acetamide
CID 54768827
N-{trans-4-[2-(4-Furo[3,2-c]pyridin-4-yl-piperazin-1-yl)-ethyl]-cyclohexyl}-propionamide
CID 54768828
But-2-ynoic acid trans-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-amide
CID 54768829
trans-N-(4-{2-[4-(2,3-Dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-N',N'-dimethyl-succinamide
CID 54768832
trans-4-Cyano-N-(4-{2-[4-(2,3-dihydro-furo[3,2-c]pyridin-4-yl)-piperazin-1-yl]-ethyl}-cyclohexyl)-benzamide
CID 54768834
N-[4-[2-(4-furo[3,2-c]pyridin-4-ylpiperazin-1-yl)ethyl]cyclohexyl]-3-methoxypropanamide
CID 54769057

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide (CID 54770382) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
The InChIKey is JVTXPXRMOCVEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33F3N4O2/c28-27(29,30)21-5-3-20(4-6-21)26(35)32-22-7-1-19(2-8-22)10-13-33-14-16-34(17-15-33)25-23-11-18-36-24(23)9-12-31-25/h3-6,9,12,19,22H,1-2,7-8,10-11,13-18H2,(H,32,35).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide has a molecular weight of 502.58 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 54770382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).