phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone

C23H21N3OS — CID 1313122

IUPACphenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H21N3OS/c27-23(25-16-14-24(15-17-25)18-8-2-1-3-9-18)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26/h1-13H,14-17H2
InChIKeyFPKLCTYUNVDEBO-UHFFFAOYSA-N
MW387.51 g/mol
LogP5.23
Rot. Bonds1

About phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone

phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1313122) has the molecular formula C23H21N3OS and a molecular weight of 387.51 g/mol. Its IUPAC name is phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Namephenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone
PubChem CID1313122
Molecular FormulaC23H21N3OS
Molecular Weight387.51 g/mol
Exact Mass387.14
IUPAC Namephenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C23H21N3OS/c27-23(25-16-14-24(15-17-25)18-8-2-1-3-9-18)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26/h1-13H,14-17H2
InChIKeyFPKLCTYUNVDEBO-UHFFFAOYSA-N
XLogP5.23
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.51
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285
[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 23102337
(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
CID 7368449
(2S)-1-(diphenylcarbamoyl)-4-(phenothiazine-10-carbonyl)piperazine-2-carboxylic acid;sulfane
CID 163903853
(2S)-1-(2,2-diphenylacetyl)-4-(phenothiazine-10-carbonyl)piperazine-2-carboxylic acid;sulfane
CID 163976857
N'-(3-phenothiazin-10-ylpropanoyl)-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 4169019
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-phenothiazin-10-ylpropan-1-one
CID 3618760
[4-(4-fluorophenyl)piperazin-1-yl]-phenoxazin-10-ylmethanone
CID 134275505
(2S)-4-(2,2-diphenylacetyl)-1-(phenothiazine-10-carbonyl)piperazine-2-carboxylic acid
CID 139448524
2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone
CID 880577
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(phenothiazine-10-carbonyl)piperidine-3-carboxamide
CID 19056988

Frequently Asked Questions

What is the IUPAC name of phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone (CID 1313122) is phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone is O=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is FPKLCTYUNVDEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OS/c27-23(25-16-14-24(15-17-25)18-8-2-1-3-9-18)26-19-10-4-6-12-21(19)28-22-13-7-5-11-20(22)26/h1-13H,14-17H2.
What are the key properties of phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone?
phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 387.51 g/mol, XLogP of 5.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1313122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).