morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone

C17H27N3O2S — CID 94083807

IUPACmorpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCC(C)c1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cs1
InChIInChI=1S/C17H27N3O2S/c1-13(2)16-18-15(12-23-16)11-19-5-3-4-14(10-19)17(21)20-6-8-22-9-7-20/h12-14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyVABAJRBWHHQPJD-AWEZNQCLSA-N
MW337.49 g/mol
LogP2.34
Rot. Bonds4

About morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone

morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone (PubChem CID 94083807) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
PubChem CID94083807
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC Namemorpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
SMILESCC(C)c1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cs1
InChIInChI=1S/C17H27N3O2S/c1-13(2)16-18-15(12-23-16)11-19-5-3-4-14(10-19)17(21)20-6-8-22-9-7-20/h12-14H,3-11H2,1-2H3/t14-/m0/s1
InChIKeyVABAJRBWHHQPJD-AWEZNQCLSA-N
XLogP2.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

N-(4-methylphenyl)-2-[4-[[3-(morpholine-4-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 78836411
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163352828
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
azepan-1-yl-[(3R)-1-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]piperidin-3-yl]methanone
CID 92612882
morpholin-4-yl-[1-[[2-(4-propan-2-ylphenyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]methanone
CID 78836439
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 163351854
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 93490177
(3R)-1-[[2-[(1R)-1-ethoxyethyl]-1,3-thiazol-4-yl]methyl]-N-ethylpiperidine-3-carboxamide
CID 95632261
N-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]acetamide
CID 97344338
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone (CID 94083807) is morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone is CC(C)c1nc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)cs1.
What is the InChIKey of morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is VABAJRBWHHQPJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13(2)16-18-15(12-23-16)11-19-5-3-4-14(10-19)17(21)20-6-8-22-9-7-20/h12-14H,3-11H2,1-2H3/t14-/m0/s1.
What are the key properties of morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone?
morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 337.49 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 94083807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).