1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

C18H20N2O3S — CID 95767935

IUPAC1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1
InChIInChI=1S/C18H20N2O3S/c1-2-14-10-24-17(19-14)13-4-3-7-20(9-13)18(21)12-5-6-15-16(8-12)23-11-22-15/h5-6,8,10,13H,2-4,7,9,11H2,1H3/t13-/m0/s1
InChIKeyBNWKOULOJICSOE-ZDUSSCGKSA-N
MW344.44 g/mol
LogP3.45
Rot. Bonds3

About 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone

1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 95767935) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID95767935
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCCc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1
InChIInChI=1S/C18H20N2O3S/c1-2-14-10-24-17(19-14)13-4-3-7-20(9-13)18(21)12-5-6-15-16(8-12)23-11-22-15/h5-6,8,10,13H,2-4,7,9,11H2,1H3/t13-/m0/s1
InChIKeyBNWKOULOJICSOE-ZDUSSCGKSA-N
XLogP3.45
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 95767983
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 95768025
[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 95768051
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 95768006
cyclopropyl-[(3R)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95051901
1,3-benzodioxol-5-yl-[(3R)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 7396220
1,3-benzodioxol-5-yl-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 70715745
(2-aminophenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119946973
N-[4-[3-(4-ethyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 86946923
[6-(dimethylamino)pyridazin-3-yl]-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95768063
(5-amino-2-methylphenyl)-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 120645991

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 95767935) is 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is CCc1csc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)n1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is BNWKOULOJICSOE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-2-14-10-24-17(19-14)13-4-3-7-20(9-13)18(21)12-5-6-15-16(8-12)23-11-22-15/h5-6,8,10,13H,2-4,7,9,11H2,1H3/t13-/m0/s1.
What are the key properties of 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone?
1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 344.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[(3S)-3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95767935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).