[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C17H21N3O2S — CID 70722943

IUPAC[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1ccc(OCC2CCCN(C(=O)c3snnc3C)C2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-5-7-15(8-6-12)22-11-14-4-3-9-20(10-14)17(21)16-13(2)18-19-23-16/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyLQTYEAUBNDOXDM-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.09
Rot. Bonds4

About [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 70722943) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID70722943
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1ccc(OCC2CCCN(C(=O)c3snnc3C)C2)cc1
InChIInChI=1S/C17H21N3O2S/c1-12-5-7-15(8-6-12)22-11-14-4-3-9-20(10-14)17(21)16-13(2)18-19-23-16/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyLQTYEAUBNDOXDM-UHFFFAOYSA-N
XLogP3.09
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxy-4-methyl-1,3-thiazol-5-yl)-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 70777552
[(3R)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 25310805
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
cyclopropyl-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 110638549
(4-methylthiadiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 25380199
[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]pentan-1-one
CID 110410652
2-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813618
(3-chloropiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65198933
[4-[[(3R)-1-(2,4-dimethylbenzoyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 95097584
1-[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-4-phenylbutane-1,2-dione
CID 91832984

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 70722943) is [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1ccc(OCC2CCCN(C(=O)c3snnc3C)C2)cc1.
What is the InChIKey of [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is LQTYEAUBNDOXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-12-5-7-15(8-6-12)22-11-14-4-3-9-20(10-14)17(21)16-13(2)18-19-23-16/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 331.44 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methylphenoxy)methyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 70722943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).