2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C16H22N2OS — CID 86768420

IUPAC2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C16H22N2OS/c19-15(11-13-5-2-1-3-6-13)18-9-4-7-14(12-18)16-17-8-10-20-16/h5,8,10,14H,1-4,6-7,9,11-12H2
InChIKeyABKLEIKAVCRNSK-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.74
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone

2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 86768420) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID86768420
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC Name2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESO=C(CC1=CCCCC1)N1CCCC(c2nccs2)C1
InChIInChI=1S/C16H22N2OS/c19-15(11-13-5-2-1-3-6-13)18-9-4-7-14(12-18)16-17-8-10-20-16/h5,8,10,14H,1-4,6-7,9,11-12H2
InChIKeyABKLEIKAVCRNSK-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-amino-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone;dihydrochloride
CID 119873436
1-[2-oxo-2-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 95761166
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 124606468
1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 127247595
3-(1,3-thiazol-2-yl)azepane-1-carboxamide
CID 67258050
1-[(3R)-1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129490005
(2-hydroxycyclopentyl)-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110014632
(5S)-5-[(3R)-3-(1,3-thiazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95762094
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
N-cyclopropyl-4-[3-oxo-3-[3-(1,3-thiazol-2-yl)piperidin-1-yl]propyl]benzenesulfonamide
CID 56579127
3-pyridin-3-yl-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 124553959
3-(1-methylpyrazol-4-yl)-1-[(3S)-3-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761150

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 86768420) is 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is O=C(CC1=CCCCC1)N1CCCC(c2nccs2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ABKLEIKAVCRNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c19-15(11-13-5-2-1-3-6-13)18-9-4-7-14(12-18)16-17-8-10-20-16/h5,8,10,14H,1-4,6-7,9,11-12H2.
What are the key properties of 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 290.43 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-[3-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 86768420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).