1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone

C18H24F3N3OS — CID 172880827

IUPAC1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(c2nc(C(F)(F)F)cs2)CC1)N1CC2CCCC2C1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)15-11-26-17(22-15)23-6-4-12(5-7-23)8-16(25)24-9-13-2-1-3-14(13)10-24/h11-14H,1-10H2
InChIKeyGNNSMDZBONZIMK-UHFFFAOYSA-N
MW387.47 g/mol
LogP4.03
Rot. Bonds3

About 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone (PubChem CID 172880827) has the molecular formula C18H24F3N3OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
PubChem CID172880827
Molecular FormulaC18H24F3N3OS
Molecular Weight387.47 g/mol
Exact Mass387.16
IUPAC Name1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone
SMILESO=C(CC1CCN(c2nc(C(F)(F)F)cs2)CC1)N1CC2CCCC2C1
InChIInChI=1S/C18H24F3N3OS/c19-18(20,21)15-11-26-17(22-15)23-6-4-12(5-7-23)8-16(25)24-9-13-2-1-3-14(13)10-24/h11-14H,1-10H2
InChIKeyGNNSMDZBONZIMK-UHFFFAOYSA-N
XLogP4.03
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone with MolForge

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Related Compounds

1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]ethanone
CID 172891519
1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-amine
CID 69066579
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanone
CID 172891059
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607
N-cyclopropyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 163348930
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone
CID 172891275
2-[4-(difluoromethyl)piperidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 166602194
1-[[(3R)-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrrolidin-3-yl]methyl]piperidine-3,4,5-triol
CID 157039074
6-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 133383794
4-methyl-1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-ol
CID 133446751
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]ethanone
CID 172880802
N,2,2-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-3-yl]propanamide
CID 163351231

Frequently Asked Questions

What is the IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
The IUPAC name of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone (CID 172880827) is 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone is O=C(CC1CCN(c2nc(C(F)(F)F)cs2)CC1)N1CC2CCCC2C1.
What is the InChIKey of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
The InChIKey is GNNSMDZBONZIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N3OS/c19-18(20,21)15-11-26-17(22-15)23-6-4-12(5-7-23)8-16(25)24-9-13-2-1-3-14(13)10-24/h11-14H,1-10H2.
What are the key properties of 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone?
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone has a molecular weight of 387.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperidin-4-yl]ethanone is sourced from PubChem (CID 172880827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).