[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone

C15H16ClN3O2S — CID 124569722

IUPAC[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC[C@@H](COc2ccccc2Cl)C1
InChIInChI=1S/C15H16ClN3O2S/c16-12-5-1-2-6-13(12)21-10-11-4-3-7-19(9-11)15(20)14-8-17-18-22-14/h1-2,5-6,8,11H,3-4,7,9-10H2/t11-/m1/s1
InChIKeyRZQNFYZXARPWGK-LLVKDONJSA-N
MW337.83 g/mol
LogP3.12
Rot. Bonds4

About [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone

[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone (PubChem CID 124569722) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone
PubChem CID124569722
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC Name[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone
SMILESO=C(c1cnns1)N1CCC[C@@H](COc2ccccc2Cl)C1
InChIInChI=1S/C15H16ClN3O2S/c16-12-5-1-2-6-13(12)21-10-11-4-3-7-19(9-11)15(20)14-8-17-18-22-14/h1-2,5-6,8,11H,3-4,7,9-10H2/t11-/m1/s1
InChIKeyRZQNFYZXARPWGK-LLVKDONJSA-N
XLogP3.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-2-(cyclopropylamino)ethanone
CID 126794413
(3-aminopiperidin-1-yl)-[2-(2-chlorophenyl)-1,3-thiazol-5-yl]methanone;hydrochloride
CID 119377484
[3-[(3-chloro-2-pyridinyl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 163351634
3-[(2-chlorophenoxy)methyl]azetidine-1-carboxamide
CID 57305157
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
[3-(chloromethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63392881
tert-butyl 3-[(2-chlorophenoxy)methyl]pyrrolidine-1-carboxylate
CID 24902815
(2-chlorophenyl)-[3-(ethoxymethyl)piperidin-1-yl]methanone
CID 110602773
[1-[(2-chlorophenyl)methyl]triazol-4-yl]-[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 25373858
N-cyclopropyl-2-[[1-(thiophene-2-carbonyl)piperidin-3-yl]methoxy]benzamide
CID 163339679
[2-[[1-(1,2-oxazole-5-carbonyl)piperidin-3-yl]methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 163339689
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone (CID 124569722) is [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone is O=C(c1cnns1)N1CCC[C@@H](COc2ccccc2Cl)C1.
What is the InChIKey of [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone?
The InChIKey is RZQNFYZXARPWGK-LLVKDONJSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-12-5-1-2-6-13(12)21-10-11-4-3-7-19(9-11)15(20)14-8-17-18-22-14/h1-2,5-6,8,11H,3-4,7,9-10H2/t11-/m1/s1.
What are the key properties of [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone?
[(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone has a molecular weight of 337.83 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 124569722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).