(4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone

C18H25F2N3OS — CID 155975952

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2nc3c(s2)CCC3)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H25F2N3OS/c19-18(20)6-10-23(11-7-18)17(24)13-4-8-22(9-5-13)12-16-21-14-2-1-3-15(14)25-16/h13H,1-12H2
InChIKeyQPCGXQALZQKUIT-UHFFFAOYSA-N
MW369.48 g/mol
LogP3.10
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone (PubChem CID 155975952) has the molecular formula C18H25F2N3OS and a molecular weight of 369.48 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone
PubChem CID155975952
Molecular FormulaC18H25F2N3OS
Molecular Weight369.48 g/mol
Exact Mass369.17
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2nc3c(s2)CCC3)CC1)N1CCC(F)(F)CC1
InChIInChI=1S/C18H25F2N3OS/c19-18(20)6-10-23(11-7-18)17(24)13-4-8-22(9-5-13)12-16-21-14-2-1-3-15(14)25-16/h13H,1-12H2
InChIKeyQPCGXQALZQKUIT-UHFFFAOYSA-N
XLogP3.10
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4,4-difluoropiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-4-yl]methanone
CID 155975853
1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899420
1-(cyclopropanecarbonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 26067271
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-sulfonamide
CID 75497436
(4,4-difluoropiperidin-1-yl)-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 155975797
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 155976184
(4,4-difluoropiperidin-1-yl)-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600665
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]propan-1-one
CID 25298539
(4,4-difluoropiperidin-1-yl)-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-yl]methanone
CID 166600818
4,4,4-trifluoro-N-[(3R,4R)-4-hydroxy-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-3-yl]butanamide
CID 154570307
[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 165432887
(4,4-difluoropiperidin-1-yl)-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]methanone
CID 165432913

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone (CID 155975952) is (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone is O=C(C1CCN(Cc2nc3c(s2)CCC3)CC1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is QPCGXQALZQKUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3OS/c19-18(20)6-10-23(11-7-18)17(24)13-4-8-22(9-5-13)12-16-21-14-2-1-3-15(14)25-16/h13H,1-12H2.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 369.48 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).