[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C23H24ClN3OS — CID 95814319

IUPAC[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1
InChIInChI=1S/C23H24ClN3OS/c1-15-10-17(11-18-6-3-4-8-20(18)24)12-21(26-15)19-7-5-9-27(13-19)23(28)22-16(2)25-14-29-22/h3-4,6,8,10,12,14,19H,5,7,9,11,13H2,1-2H3/t19-/m1/s1
InChIKeyLCHGKGXHKLNVJJ-LJQANCHMSA-N
MW425.99 g/mol
LogP5.42
Rot. Bonds4

About [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 95814319) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID95814319
Molecular FormulaC23H24ClN3OS
Molecular Weight425.99 g/mol
Exact Mass425.13
IUPAC Name[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1
InChIInChI=1S/C23H24ClN3OS/c1-15-10-17(11-18-6-3-4-8-20(18)24)12-21(26-15)19-7-5-9-27(13-19)23(28)22-16(2)25-14-29-22/h3-4,6,8,10,12,14,19H,5,7,9,11,13H2,1-2H3/t19-/m1/s1
InChIKeyLCHGKGXHKLNVJJ-LJQANCHMSA-N
XLogP5.42
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.99
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110252661
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95816362
(2-amino-4-methylpyrimidin-5-yl)-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252665
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110252554
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110253908
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95814437
3-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110253871
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95816436
[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 110252642
1-[(3S)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 95814306
1-[3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethanone
CID 110252715

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 95814319) is [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1.
What is the InChIKey of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is LCHGKGXHKLNVJJ-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c1-15-10-17(11-18-6-3-4-8-20(18)24)12-21(26-15)19-7-5-9-27(13-19)23(28)22-16(2)25-14-29-22/h3-4,6,8,10,12,14,19H,5,7,9,11,13H2,1-2H3/t19-/m1/s1.
What are the key properties of [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 425.99 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 95814319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).