1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one

C14H19N3O2S — CID 166186927

IUPAC1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
SMILESO=C(c1cncs1)N1CCCC(N2CCCCC2=O)C1
InChIInChI=1S/C14H19N3O2S/c18-13-5-1-2-7-17(13)11-4-3-6-16(9-11)14(19)12-8-15-10-20-12/h8,10-11H,1-7,9H2
InChIKeyBHBFWYRLIUEEGD-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.76
Rot. Bonds2

About 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one

1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one (PubChem CID 166186927) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
PubChem CID166186927
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
SMILESO=C(c1cncs1)N1CCCC(N2CCCCC2=O)C1
InChIInChI=1S/C14H19N3O2S/c18-13-5-1-2-7-17(13)11-4-3-6-16(9-11)14(19)12-8-15-10-20-12/h8,10-11H,1-7,9H2
InChIKeyBHBFWYRLIUEEGD-UHFFFAOYSA-N
XLogP1.76
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 118766603
2-[3-(2-oxopyrrolidin-1-yl)piperidine-1-carbonyl]-1-benzothiophene-4-carboxylic acid
CID 167758086
2-[1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 103766476
[9-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-3,9-diazabicyclo[3.3.1]nonan-3-yl]-(1,3-thiazol-5-yl)methanone
CID 167759481
1-[(3S)-1-(3-amino-4-chloro-1H-pyrazole-5-carbonyl)piperidin-3-yl]pyrrolidin-2-one
CID 99932464
(6-methoxynaphthalen-2-yl)-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 26390778
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502
1-[(3S)-1-(3-pyridin-3-ylpropanoyl)piperidin-3-yl]pyrrolidin-2-one
CID 99116117
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
2-acetyl-1,3,4,7,8,9,10,10a-octahydropyrido[1,2-a][1,4]diazepin-5-one
CID 58357133
[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124999399
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one (CID 166186927) is 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one is O=C(c1cncs1)N1CCCC(N2CCCCC2=O)C1.
What is the InChIKey of 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one?
The InChIKey is BHBFWYRLIUEEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c18-13-5-1-2-7-17(13)11-4-3-6-16(9-11)14(19)12-8-15-10-20-12/h8,10-11H,1-7,9H2.
What are the key properties of 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one?
1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one has a molecular weight of 293.39 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one is sourced from PubChem (CID 166186927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).