(4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone

C16H23F2N3OS — CID 165432032

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1nc(C)c(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)s1
InChIInChI=1S/C16H23F2N3OS/c1-11-14(23-12(2)19-11)10-20-6-3-13(9-20)15(22)21-7-4-16(17,18)5-8-21/h13H,3-10H2,1-2H3
InChIKeyCZEMLWNQQLVMOY-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.84
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone (PubChem CID 165432032) has the molecular formula C16H23F2N3OS and a molecular weight of 343.44 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
PubChem CID165432032
Molecular FormulaC16H23F2N3OS
Molecular Weight343.44 g/mol
Exact Mass343.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone
SMILESCc1nc(C)c(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)s1
InChIInChI=1S/C16H23F2N3OS/c1-11-14(23-12(2)19-11)10-20-6-3-13(9-20)15(22)21-7-4-16(17,18)5-8-21/h13H,3-10H2,1-2H3
InChIKeyCZEMLWNQQLVMOY-UHFFFAOYSA-N
XLogP2.84
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[3-(4,5-Dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 72125192
N-[(2-isopropyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72867942
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-piperidinyl)butanamide
CID 72873202
[4-Methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-[6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
CID 72108229
N-methyl-N-[1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 71909363
2-Isopropyl-4-methyl-5-{[2-(trifluoromethyl)-1-pyrrolidinyl]carbonyl}-1,3-thiazole
CID 72936860
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
2-(cyclopropylmethyl)-N-ethyl-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 91652139
(2,4-Dimethylthiazol-5-yl)(2-(trifluoromethyl)piperidin-1-yl)methanone
CID 92092481
[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-[(1S,5S,6R)-6-(trifluoromethyl)-2-azabicyclo[3.1.0]hexan-2-yl]methanone
CID 95787896
(3R)-N-methyl-N-[(1R)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 97066942
(3R)-N-methyl-N-[(1S)-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 97066943

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone (CID 165432032) is (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone is Cc1nc(C)c(CN2CCC(C(=O)N3CCC(F)(F)CC3)C2)s1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
The InChIKey is CZEMLWNQQLVMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3OS/c1-11-14(23-12(2)19-11)10-20-6-3-13(9-20)15(22)21-7-4-16(17,18)5-8-21/h13H,3-10H2,1-2H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone has a molecular weight of 343.44 g/mol, XLogP of 2.84, 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-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 165432032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).