1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one

C16H27N3O2S — CID 71927412

IUPAC1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2csc(COC)n2)C(CC)C1
InChIInChI=1S/C16H27N3O2S/c1-4-12-9-19(16(20)5-2)7-6-14(12)17-8-13-11-22-15(18-13)10-21-3/h11-12,14,17H,4-10H2,1-3H3
InChIKeyZULOKDSOLIDUPN-UHFFFAOYSA-N
MW325.48 g/mol
LogP2.42
Rot. Bonds7

About 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one

1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one (PubChem CID 71927412) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
PubChem CID71927412
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Name1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(NCc2csc(COC)n2)C(CC)C1
InChIInChI=1S/C16H27N3O2S/c1-4-12-9-19(16(20)5-2)7-6-14(12)17-8-13-11-22-15(18-13)10-21-3/h11-12,14,17H,4-10H2,1-3H3
InChIKeyZULOKDSOLIDUPN-UHFFFAOYSA-N
XLogP2.42
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71871926
[(3R,4R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]-3-ethylpiperidin-1-yl]-cyclopropylmethanone
CID 97027015
1-[(3R,4S)-4-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]-3-methylpiperidin-1-yl]propan-1-one
CID 96513391
1-[(3R,4S)-3-ethyl-4-(1,3-thiazol-4-ylmethylamino)piperidin-1-yl]ethanone
CID 97097657
1-[3-ethyl-4-(naphthalen-2-ylmethylamino)piperidin-1-yl]propan-1-one
CID 71927405
2-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]cyclohexan-1-amine
CID 55031515
1-[(3S,4S)-3-ethyl-4-[(5-fluoro-1-benzofuran-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 97097336
N-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methyl]-3-methylcyclobutan-1-amine
CID 115671468
1-[(3S,4S)-4-[(4-chloro-3-fluorophenyl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 97097376
ethyl (3R)-3-[(2-propyl-1,3-thiazol-4-yl)methylamino]pyrrolidine-1-carboxylate
CID 125448097
[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 97026755
1-[(3S,4S)-3-ethyl-4-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methylamino]piperidin-1-yl]propan-1-one
CID 97097280

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one (CID 71927412) is 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(NCc2csc(COC)n2)C(CC)C1.
What is the InChIKey of 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
The InChIKey is ZULOKDSOLIDUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-4-12-9-19(16(20)5-2)7-6-14(12)17-8-13-11-22-15(18-13)10-21-3/h11-12,14,17H,4-10H2,1-3H3.
What are the key properties of 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one?
1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one has a molecular weight of 325.48 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-4-[[2-(methoxymethyl)-1,3-thiazol-4-yl]methylamino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 71927412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).