(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone

C13H20N2O2S — CID 72865941

IUPAC(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCCC(OC)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-3-5-12-14-11(9-18-12)13(16)15-7-4-6-10(8-15)17-2/h9-10H,3-8H2,1-2H3
InChIKeyKPGUUKBENBZPHW-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.35
Rot. Bonds4

About (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone

(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone (PubChem CID 72865941) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
PubChem CID72865941
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
SMILESCCCc1nc(C(=O)N2CCCC(OC)C2)cs1
InChIInChI=1S/C13H20N2O2S/c1-3-5-12-14-11(9-18-12)13(16)15-7-4-6-10(8-15)17-2/h9-10H,3-8H2,1-2H3
InChIKeyKPGUUKBENBZPHW-UHFFFAOYSA-N
XLogP2.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-1,3-thiazol-4-yl)-(3-methoxypiperidin-1-yl)methanone
CID 102957562
[2-(aminomethyl)-1,3-thiazol-4-yl]-(3-methoxypyrrolidin-1-yl)methanone
CID 103532978
(3-methoxyphenyl)-[1-(2-propyl-1,3-thiazole-4-carbonyl)piperidin-3-yl]methanone
CID 56897529
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97131598
[(3S)-3-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97118844
[(3R)-3-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 95223362
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 97273803
[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72900431
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(4-ethylazepan-1-yl)methanone
CID 66390147
methyl (2R,4S)-4-hydroxy-1-(2-propyl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylate
CID 50969069
(4aS,8aS)-1-methyl-7-(2-propyl-1,3-thiazole-4-carbonyl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135104882
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-(3-methylpyrrolidin-1-yl)methanone;hydrochloride
CID 120625539

Frequently Asked Questions

What is the IUPAC name of (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone (CID 72865941) is (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone is CCCc1nc(C(=O)N2CCCC(OC)C2)cs1.
What is the InChIKey of (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
The InChIKey is KPGUUKBENBZPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-5-12-14-11(9-18-12)13(16)15-7-4-6-10(8-15)17-2/h9-10H,3-8H2,1-2H3.
What are the key properties of (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone?
(3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone has a molecular weight of 268.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxypiperidin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 72865941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).