1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone

C20H26N2OS — CID 56896479

IUPAC1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
SMILESCCc1nc(C)sc1CN1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H26N2OS/c1-3-18-20(24-15(2)21-18)14-22-11-7-10-17(13-22)19(23)12-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3
InChIKeyCUDOUXAKMOTBEG-UHFFFAOYSA-N
MW342.51 g/mol
LogP4.04
Rot. Bonds6

About 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone

1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone (PubChem CID 56896479) has the molecular formula C20H26N2OS and a molecular weight of 342.51 g/mol. Its IUPAC name is 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
PubChem CID56896479
Molecular FormulaC20H26N2OS
Molecular Weight342.51 g/mol
Exact Mass342.18
IUPAC Name1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone
SMILESCCc1nc(C)sc1CN1CCCC(C(=O)Cc2ccccc2)C1
InChIInChI=1S/C20H26N2OS/c1-3-18-20(24-15(2)21-18)14-22-11-7-10-17(13-22)19(23)12-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3
InChIKeyCUDOUXAKMOTBEG-UHFFFAOYSA-N
XLogP4.04
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone with MolForge

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Related Compounds

1-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 56885682
1-[(3S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95870310
2-phenyl-1-[(3S)-1-[(2-propan-2-ylpyrimidin-4-yl)methyl]piperidin-3-yl]ethanone
CID 95896053
1-[(3S)-1-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-2-phenylethanone
CID 95728184
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 95221422
1-[(3S)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-3-phenylpropan-1-one
CID 95714959
1-[1-[[3-(2-aminoethyl)phenyl]methyl]piperidin-3-yl]-2-phenylethanone
CID 56888327
2-[2-methyl-5-(piperidin-1-ylmethyl)-1,3-thiazol-4-yl]acetic acid
CID 82069285
1-[1-(1H-indol-5-ylmethyl)piperidin-3-yl]-2-phenylethanone
CID 56903614
1-[(3S)-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-2-phenylethanone
CID 95888911
1-(1-benzylpiperidin-3-yl)-2-methylpropan-1-one
CID 82384810
1-benzylpiperidine-3-carbonyl chloride
CID 22006205

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone?
The IUPAC name of 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone (CID 56896479) is 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone?
The canonical SMILES for 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone is CCc1nc(C)sc1CN1CCCC(C(=O)Cc2ccccc2)C1.
What is the InChIKey of 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone?
The InChIKey is CUDOUXAKMOTBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2OS/c1-3-18-20(24-15(2)21-18)14-22-11-7-10-17(13-22)19(23)12-16-8-5-4-6-9-16/h4-6,8-9,17H,3,7,10-14H2,1-2H3.
What are the key properties of 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone?
1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone has a molecular weight of 342.51 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-2-phenylethanone is sourced from PubChem (CID 56896479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).