(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

C16H18N2O2S — CID 111439387

IUPAC(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2cccc(C(=O)N3CCCC(O)C3)c2)n1
InChIInChI=1S/C16H18N2O2S/c1-11-10-21-15(17-11)12-4-2-5-13(8-12)16(20)18-7-3-6-14(19)9-18/h2,4-5,8,10,14,19H,3,6-7,9H2,1H3
InChIKeyROFAQZCREHVLOS-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.72
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (PubChem CID 111439387) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
PubChem CID111439387
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
SMILESCc1csc(-c2cccc(C(=O)N3CCCC(O)C3)c2)n1
InChIInChI=1S/C16H18N2O2S/c1-11-10-21-15(17-11)12-4-2-5-13(8-12)16(20)18-7-3-6-14(19)9-18/h2,4-5,8,10,14,19H,3,6-7,9H2,1H3
InChIKeyROFAQZCREHVLOS-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119594242
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone;dihydrochloride
CID 119649898
(3R)-3-hydroxy-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 111754825
[2-(aminomethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119467477
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 110628874
[3-(4-methyl-1,3-thiazol-2-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110355859
[(3S)-3-hydroxypiperidin-1-yl]-(5-phenylthiophen-3-yl)methanone
CID 58110219
[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 110354468
(2-chloro-6-methyl-4-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 113378343
(3-hydroxypiperidin-1-yl)-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 110882016
[(3R)-3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808945

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone (CID 111439387) is (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is Cc1csc(-c2cccc(C(=O)N3CCCC(O)C3)c2)n1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
The InChIKey is ROFAQZCREHVLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-11-10-21-15(17-11)12-4-2-5-13(8-12)16(20)18-7-3-6-14(19)9-18/h2,4-5,8,10,14,19H,3,6-7,9H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone has a molecular weight of 302.40 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone is sourced from PubChem (CID 111439387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).