1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone

C29H29FN2O2S — CID 21438270

IUPAC1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN1CCCCC1C(=O)c1ccc(F)cc1)c1ccccc1S2
InChIInChI=1S/C29H29FN2O2S/c1-20(33)22-12-15-28-26(19-22)32(24-7-2-3-9-27(24)35-28)18-6-17-31-16-5-4-8-25(31)29(34)21-10-13-23(30)14-11-21/h2-3,7,9-15,19,25H,4-6,8,16-18H2,1H3
InChIKeyPFULRBUDGWLBLV-UHFFFAOYSA-N
MW488.63 g/mol
LogP6.76
Rot. Bonds7

About 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone

1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone (PubChem CID 21438270) has the molecular formula C29H29FN2O2S and a molecular weight of 488.63 g/mol. Its IUPAC name is 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
PubChem CID21438270
Molecular FormulaC29H29FN2O2S
Molecular Weight488.63 g/mol
Exact Mass488.19
IUPAC Name1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)N(CCCN1CCCCC1C(=O)c1ccc(F)cc1)c1ccccc1S2
InChIInChI=1S/C29H29FN2O2S/c1-20(33)22-12-15-28-26(19-22)32(24-7-2-3-9-27(24)35-28)18-6-17-31-16-5-4-8-25(31)29(34)21-10-13-23(30)14-11-21/h2-3,7,9-15,19,25H,4-6,8,16-18H2,1H3
InChIKeyPFULRBUDGWLBLV-UHFFFAOYSA-N
XLogP6.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.63
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone with MolForge

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Related Compounds

(4-chlorophenyl)-[1-(3-phenothiazin-10-ylpropyl)piperidin-2-yl]methanone
CID 21438253
1-[10-[3-[bis(trideuteriomethyl)amino]propyl]phenothiazin-2-yl]ethanone
CID 71312308
bis((Z)-but-2-enedioic acid);1-[10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazin-2-yl]ethanone
CID 24839879
(E)-but-2-enedioic acid;1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]ethanone
CID 6433445
2-fluoro-10-[4-(4-methylpiperidin-1-yl)butyl]phenothiazine
CID 135251826
N-(cyclobutylmethyl)-10-(3-pyrrolidin-1-ylpropyl)phenothiazine-2-carboxamide
CID 67827759
1-[10-[3-[4-(1,1,2,2-tetradeuterio-2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]propan-1-one
CID 71314571
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
CID 25008399
1-[3-(2-methylsulfanylphenothiazin-10-yl)propyl]piperidine-4-carboxylic acid
CID 144985783
1-[3-(2-chlorophenothiazin-10-yl)propyl]piperidine-4-carboxylic acid
CID 23622737
bis[10-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propyl]-2-(trifluoromethyl)phenothiazin-1-yl] (E)-but-2-enedioate
CID 88826334
1-[2-[2-(2-methylsulfanylphenothiazin-10-yl)ethyl]piperidin-1-yl]ethanone
CID 91748186

Frequently Asked Questions

What is the IUPAC name of 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone?
The IUPAC name of 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone (CID 21438270) is 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone.
What is the SMILES notation for 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone?
The canonical SMILES for 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone is CC(=O)c1ccc2c(c1)N(CCCN1CCCCC1C(=O)c1ccc(F)cc1)c1ccccc1S2.
What is the InChIKey of 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone?
The InChIKey is PFULRBUDGWLBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN2O2S/c1-20(33)22-12-15-28-26(19-22)32(24-7-2-3-9-27(24)35-28)18-6-17-31-16-5-4-8-25(31)29(34)21-10-13-23(30)14-11-21/h2-3,7,9-15,19,25H,4-6,8,16-18H2,1H3.
What are the key properties of 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone?
1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone has a molecular weight of 488.63 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[3-[2-(4-fluorobenzoyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone is sourced from PubChem (CID 21438270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).