cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

C18H25N3O2S — CID 97154928

IUPACcyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C(=O)N2CCC[C@H]2c2nccs2)CC1
InChIInChI=1S/C18H25N3O2S/c22-17(13-3-1-4-13)20-10-6-14(7-11-20)18(23)21-9-2-5-15(21)16-19-8-12-24-16/h8,12-15H,1-7,9-11H2/t15-/m0/s1
InChIKeyDUHJKBRWJIAUAV-HNNXBMFYSA-N
MW347.48 g/mol
LogP2.85
Rot. Bonds3

About cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97154928) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97154928
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Namecyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESO=C(C1CCC1)N1CCC(C(=O)N2CCC[C@H]2c2nccs2)CC1
InChIInChI=1S/C18H25N3O2S/c22-17(13-3-1-4-13)20-10-6-14(7-11-20)18(23)21-9-2-5-15(21)16-19-8-12-24-16/h8,12-15H,1-7,9-11H2/t15-/m0/s1
InChIKeyDUHJKBRWJIAUAV-HNNXBMFYSA-N
XLogP2.85
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-methoxy-1-[4-[(2R)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]ethanone
CID 97202324
(3-aminocyclohexyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119873463
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
2-[3-[2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]piperidin-1-yl]acetamide
CID 131942046
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
(4S)-1-propan-2-yl-4-[(2S)-2-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95770198
cyclohexyl 2-(1,3-thiazol-2-yl)pyrrolidine-1-carboxylate
CID 58171477
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
4-piperidin-1-yl-1-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97194601
cyclobutyl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 42939217
(2-propyl-1,3-thiazol-4-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72940869

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (CID 97154928) is cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is O=C(C1CCC1)N1CCC(C(=O)N2CCC[C@H]2c2nccs2)CC1.
What is the InChIKey of cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is DUHJKBRWJIAUAV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(13-3-1-4-13)20-10-6-14(7-11-20)18(23)21-9-2-5-15(21)16-19-8-12-24-16/h8,12-15H,1-7,9-11H2/t15-/m0/s1.
What are the key properties of cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 347.48 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-[(2S)-2-(1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97154928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).