[4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone

C16H18N2O2S — CID 141414952

IUPAC[4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1cc(C2(O)CCN(C(=O)c3ccccc3)CC2)sn1
InChIInChI=1S/C16H18N2O2S/c1-12-11-14(21-17-12)16(20)7-9-18(10-8-16)15(19)13-5-3-2-4-6-13/h2-6,11,20H,7-10H2,1H3
InChIKeyXVICSBSUGCLKOX-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.58
Rot. Bonds2

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

[4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone (PubChem CID 141414952) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone
PubChem CID141414952
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name[4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone
SMILESCc1cc(C2(O)CCN(C(=O)c3ccccc3)CC2)sn1
InChIInChI=1S/C16H18N2O2S/c1-12-11-14(21-17-12)16(20)7-9-18(10-8-16)15(19)13-5-3-2-4-6-13/h2-6,11,20H,7-10H2,1H3
InChIKeyXVICSBSUGCLKOX-UHFFFAOYSA-N
XLogP2.58
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-({(2R,5R)-5-[5-(1-Hydroxy-1-methylethyl)isothiazol-3-yl]-2-methylpiperidin-1-yl} carbonyl)phenyl]cyclopropanecarbonitrile
CID 121305867
2-{3-[(3R,6R)-1-{[2-(2-methoxyethyl)phenyl]carbonyl}-6-methylpiperidin-3-yl]isothiazol-5-yl}propan-2-ol
CID 121344699
3-(1-Phenacylpiperidin-3-yl)-1,2-thiazole-5-carboxylic acid
CID 57803111
3-(1-Phenylmethoxycarbonylpiperidin-3-yl)-1,2-thiazole-5-carboxylic acid
CID 69058411
methyl 2-[(2R,5R)-5-[5-(2-hydroxypropan-2-yl)-1,2-thiazol-3-yl]-2-methylpiperidine-1-carbonyl]benzoate
CID 121305883
(4-Benzylpiperazin-1-yl)-(5-methyl-1,2-thiazol-3-yl)methanone
CID 84576731
1-(3-Phenyl-1,2-thiazole-5-carbonyl)piperidine-4-carboxylic acid
CID 119349205
1-(3-Phenyl-1,2-thiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120354296
1-(3-Phenyl-1,2-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 120356069
3-[1-(3-Phenyl-1,2-thiazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 121902118
3-[1-(3-Phenyl-1,2-thiazole-5-carbonyl)piperidin-2-yl]propanoic acid
CID 121902458
(2R,3R)-2-methyl-1-(3-phenyl-1,2-thiazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122116062

Frequently Asked Questions

What is the IUPAC name of [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone (CID 141414952) is [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone is Cc1cc(C2(O)CCN(C(=O)c3ccccc3)CC2)sn1.
What is the InChIKey of [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone?
The InChIKey is XVICSBSUGCLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-12-11-14(21-17-12)16(20)7-9-18(10-8-16)15(19)13-5-3-2-4-6-13/h2-6,11,20H,7-10H2,1H3.
What are the key properties of [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone?
[4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone has a molecular weight of 302.40 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-hydroxy-4-(3-methyl-1,2-thiazol-5-yl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 141414952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).