[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C18H22N2O3S — CID 111434178

IUPAC[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccc(OCc3cscn3)cc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-13(21)14-6-8-20(9-7-14)18(22)15-2-4-17(5-3-15)23-10-16-11-24-12-19-16/h2-5,11-14,21H,6-10H2,1H3
InChIKeyIMGUQCKOSOCIPH-UHFFFAOYSA-N
MW346.45 g/mol
LogP2.96
Rot. Bonds5

About [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 111434178) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID111434178
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESCC(O)C1CCN(C(=O)c2ccc(OCc3cscn3)cc2)CC1
InChIInChI=1S/C18H22N2O3S/c1-13(21)14-6-8-20(9-7-14)18(22)15-2-4-17(5-3-15)23-10-16-11-24-12-19-16/h2-5,11-14,21H,6-10H2,1H3
InChIKeyIMGUQCKOSOCIPH-UHFFFAOYSA-N
XLogP2.96
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475322
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86936536
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134010113
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 9488476
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24552260
[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 40953818
N,N-dipropyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134022298

Frequently Asked Questions

What is the IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 111434178) is [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is CC(O)C1CCN(C(=O)c2ccc(OCc3cscn3)cc2)CC1.
What is the InChIKey of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is IMGUQCKOSOCIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-13(21)14-6-8-20(9-7-14)18(22)15-2-4-17(5-3-15)23-10-16-11-24-12-19-16/h2-5,11-14,21H,6-10H2,1H3.
What are the key properties of [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 346.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 111434178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).