(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one

C21H28N2O3S — CID 99830736

IUPAC(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
SMILESCOc1ccccc1-c1csc(C2CCN(C(=O)CC[C@@H](C)OC)CC2)n1
InChIInChI=1S/C21H28N2O3S/c1-15(25-2)8-9-20(24)23-12-10-16(11-13-23)21-22-18(14-27-21)17-6-4-5-7-19(17)26-3/h4-7,14-16H,8-13H2,1-3H3/t15-/m1/s1
InChIKeyLHORGSMUGDDHII-OAHLLOKOSA-N
MW388.53 g/mol
LogP4.34
Rot. Bonds7

About (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one

(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one (PubChem CID 99830736) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
PubChem CID99830736
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
SMILESCOc1ccccc1-c1csc(C2CCN(C(=O)CC[C@@H](C)OC)CC2)n1
InChIInChI=1S/C21H28N2O3S/c1-15(25-2)8-9-20(24)23-12-10-16(11-13-23)21-22-18(14-27-21)17-6-4-5-7-19(17)26-3/h4-7,14-16H,8-13H2,1-3H3/t15-/m1/s1
InChIKeyLHORGSMUGDDHII-OAHLLOKOSA-N
XLogP4.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 55660730
1-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907682
5-methoxy-4-methyl-1-[4-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one
CID 143916684
1-[2-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]morpholin-4-yl]-2-methylidenepentan-1-one
CID 177183884
2-(2-methoxyphenoxy)-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110289796
tert-butyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 68778443
4-amino-1-[4-[(2-methoxyphenyl)methyl]piperidin-1-yl]pentan-1-one;hydrochloride
CID 120562065
1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 121069874
[6-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2,2-dimethylmorpholin-4-yl]-phenylmethanone
CID 177184019
2-(4-fluorophenoxy)-1-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]ethanone
CID 121069871
2-[2-[4-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121069896
1-(2,2-dimethylpropanoyl)-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 55660589

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
The IUPAC name of (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one (CID 99830736) is (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one is COc1ccccc1-c1csc(C2CCN(C(=O)CC[C@@H](C)OC)CC2)n1.
What is the InChIKey of (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
The InChIKey is LHORGSMUGDDHII-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(25-2)8-9-20(24)23-12-10-16(11-13-23)21-22-18(14-27-21)17-6-4-5-7-19(17)26-3/h4-7,14-16H,8-13H2,1-3H3/t15-/m1/s1.
What are the key properties of (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one?
(4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one has a molecular weight of 388.53 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methoxy-1-[4-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 99830736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).