1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone

C24H23N3OS — CID 26414987

IUPAC1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
SMILESO=C(CN1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H23N3OS/c28-24(17-26-15-6-5-9-19(26)18-8-7-14-25-16-18)27-20-10-1-3-12-22(20)29-23-13-4-2-11-21(23)27/h1-4,7-8,10-14,16,19H,5-6,9,15,17H2/t19-/m1/s1
InChIKeyWIGJXCPPBDQPNC-LJQANCHMSA-N
MW401.54 g/mol
LogP5.44
Rot. Bonds3

About 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone

1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone (PubChem CID 26414987) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
PubChem CID26414987
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone
SMILESO=C(CN1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C24H23N3OS/c28-24(17-26-15-6-5-9-19(26)18-8-7-14-25-16-18)27-20-10-1-3-12-22(20)29-23-13-4-2-11-21(23)27/h1-4,7-8,10-14,16,19H,5-6,9,15,17H2/t19-/m1/s1
InChIKeyWIGJXCPPBDQPNC-LJQANCHMSA-N
XLogP5.44
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-5-[[(2S)-2-pyridin-3-ylpiperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 40503258
(2S)-1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]propan-2-ol
CID 6540981
3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-cycloheptyl-3-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propanamide
CID 95121735
N-(1,3-benzothiazol-2-yl)-3-(2-pyridin-3-ylpiperidin-1-yl)propanamide
CID 50956027
(5E)-5-benzylidene-3-[2-oxo-2-[(2S)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92949535
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
3-[(2R)-1-[(2,3-dichlorophenyl)methyl]piperidin-2-yl]pyridine
CID 40501419
(5E)-5-[(2-chlorophenyl)methylidene]-3-[2-oxo-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 92949320
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833

Frequently Asked Questions

What is the IUPAC name of 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The IUPAC name of 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone (CID 26414987) is 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone.
What is the SMILES notation for 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The canonical SMILES for 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone is O=C(CN1CCCC[C@@H]1c1cccnc1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
The InChIKey is WIGJXCPPBDQPNC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N3OS/c28-24(17-26-15-6-5-9-19(26)18-8-7-14-25-16-18)27-20-10-1-3-12-22(20)29-23-13-4-2-11-21(23)27/h1-4,7-8,10-14,16,19H,5-6,9,15,17H2/t19-/m1/s1.
What are the key properties of 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone?
1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone has a molecular weight of 401.54 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenothiazin-10-yl-2-[(2R)-2-pyridin-3-ylpiperidin-1-yl]ethanone is sourced from PubChem (CID 26414987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).