1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one

C16H25N3O2S — CID 111116494

IUPAC1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1csc(C2CCN(CC(O)CN3CCCC3=O)CC2)n1
InChIInChI=1S/C16H25N3O2S/c1-12-11-22-16(17-12)13-4-7-18(8-5-13)9-14(20)10-19-6-2-3-15(19)21/h11,13-14,20H,2-10H2,1H3
InChIKeyLKTRXUJWEHDHEF-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.61
Rot. Bonds5

About 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one

1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 111116494) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one
PubChem CID111116494
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one
SMILESCc1csc(C2CCN(CC(O)CN3CCCC3=O)CC2)n1
InChIInChI=1S/C16H25N3O2S/c1-12-11-22-16(17-12)13-4-7-18(8-5-13)9-14(20)10-19-6-2-3-15(19)21/h11,13-14,20H,2-10H2,1H3
InChIKeyLKTRXUJWEHDHEF-UHFFFAOYSA-N
XLogP1.61
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,6-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912986
1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912985
2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanamine
CID 116965536
1-[(2S)-2-hydroxy-3-[(3S)-3-[methyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 96513859
1-[2-hydroxy-3-(4-phenoxypiperidin-1-yl)propyl]pyrrolidin-2-one
CID 111116460
4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
1-[2-hydroxy-3-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propyl]pyrrolidin-2-one
CID 111442533
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 23584597
(2R)-3-[4-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]propane-1,2-diol
CID 58246469
(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 124623176
1-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one;dihydrochloride
CID 23584596
1-(2-hydroxy-3-methylsulfanylpropyl)pyrrolidin-2-one;hydrochloride
CID 70616832

Frequently Asked Questions

What is the IUPAC name of 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one (CID 111116494) is 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one is Cc1csc(C2CCN(CC(O)CN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is LKTRXUJWEHDHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-12-11-22-16(17-12)13-4-7-18(8-5-13)9-14(20)10-19-6-2-3-15(19)21/h11,13-14,20H,2-10H2,1H3.
What are the key properties of 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one?
1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 323.46 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-hydroxy-3-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 111116494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).