2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone

C16H25N3OS — CID 110114196

IUPAC2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC1(c2nccs2)CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H25N3OS/c1-16(15-17-7-12-21-15)5-10-18(11-6-16)13-14(20)19-8-3-2-4-9-19/h7,12H,2-6,8-11,13H2,1H3
InChIKeyIJLKIENCPLTHSL-UHFFFAOYSA-N
MW307.46 g/mol
LogP2.51
Rot. Bonds3

About 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone

2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 110114196) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
PubChem CID110114196
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC Name2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone
SMILESCC1(c2nccs2)CCN(CC(=O)N2CCCCC2)CC1
InChIInChI=1S/C16H25N3OS/c1-16(15-17-7-12-21-15)5-10-18(11-6-16)13-14(20)19-8-3-2-4-9-19/h7,12H,2-6,8-11,13H2,1H3
InChIKeyIJLKIENCPLTHSL-UHFFFAOYSA-N
XLogP2.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[4-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 115304923
[(3S)-1,1-dioxothiolan-3-yl]-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 125003549
2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-1-(azepan-1-yl)ethanone
CID 107160703
1H-imidazol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114185
2-[4-methyl-1-(1H-pyrazol-5-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 110114192
4-methyl-1-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carbothioamide
CID 107161559
methane;nonakis(2-(4-methylpiperazin-1-yl)-1-piperidin-1-ylethanone)
CID 157103397
1-piperidin-1-yl-3-[1-(1,3-thiazol-2-yl)ethylamino]propan-1-one
CID 112550351
1,3-benzodioxol-5-yl-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114223
(5-fluoro-1-methylindol-2-yl)-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114269
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone (CID 110114196) is 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone is CC1(c2nccs2)CCN(CC(=O)N2CCCCC2)CC1.
What is the InChIKey of 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is IJLKIENCPLTHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-16(15-17-7-12-21-15)5-10-18(11-6-16)13-14(20)19-8-3-2-4-9-19/h7,12H,2-6,8-11,13H2,1H3.
What are the key properties of 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone?
2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 307.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 110114196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).