1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one

C23H29N3O2S — CID 25137957

IUPAC1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)N(CCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=1S/C23H29N3O2S/c1-2-21(28)18-7-8-23-20(17-18)26(19-5-3-4-6-22(19)29-23)14-13-24-9-11-25(12-10-24)15-16-27/h3-8,17,27H,2,9-16H2,1H3
InChIKeyDYCNETKPCXPXNW-UHFFFAOYSA-N
MW411.57 g/mol
LogP3.49
Rot. Bonds7

About 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one

1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one (PubChem CID 25137957) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one
PubChem CID25137957
Molecular FormulaC23H29N3O2S
Molecular Weight411.57 g/mol
Exact Mass411.20
IUPAC Name1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one
SMILESCCC(=O)c1ccc2c(c1)N(CCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=1S/C23H29N3O2S/c1-2-21(28)18-7-8-23-20(17-18)26(19-5-3-4-6-22(19)29-23)14-13-24-9-11-25(12-10-24)15-16-27/h3-8,17,27H,2,9-16H2,1H3
InChIKeyDYCNETKPCXPXNW-UHFFFAOYSA-N
XLogP3.49
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Propiomazine
CID 4940
Piperacetazine
CID 19675
Acepromazine
CID 6077
Butaperazine
CID 12598
Aceprometazine
CID 26035
Carphenazine
CID 18104
Acetophenazine
CID 17676
Acepromazine Maleate
CID 6420038
Propionylpromazine
CID 24352
Acetophenazine Maleate
CID 5281082
Propiomazine Hydrochloride
CID 71802
Carphenazine Maleate
CID 6433356

Frequently Asked Questions

What is the IUPAC name of 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one?
The IUPAC name of 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one (CID 25137957) is 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one.
What is the SMILES notation for 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one?
The canonical SMILES for 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one is CCC(=O)c1ccc2c(c1)N(CCN1CCN(CCO)CC1)c1ccccc1S2.
What is the InChIKey of 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one?
The InChIKey is DYCNETKPCXPXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-2-21(28)18-7-8-23-20(17-18)26(19-5-3-4-6-22(19)29-23)14-13-24-9-11-25(12-10-24)15-16-27/h3-8,17,27H,2,9-16H2,1H3.
What are the key properties of 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one?
1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one has a molecular weight of 411.57 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[10-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]phenothiazin-2-yl]propan-1-one is sourced from PubChem (CID 25137957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).