2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride

C19H22ClN3OS — CID 2873620

IUPAC2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
SMILESCN1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1.Cl
InChIInChI=1S/C19H21N3OS.ClH/c1-20-10-12-21(13-11-20)14-19(23)22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22;/h2-9H,10-14H2,1H3;1H
InChIKeyCMCCRAWNELHBKC-UHFFFAOYSA-N
MW375.93 g/mol
LogP3.49
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride

2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride (PubChem CID 2873620) has the molecular formula C19H22ClN3OS and a molecular weight of 375.93 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
PubChem CID2873620
Molecular FormulaC19H22ClN3OS
Molecular Weight375.93 g/mol
Exact Mass375.12
IUPAC Name2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
SMILESCN1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1.Cl
InChIInChI=1S/C19H21N3OS.ClH/c1-20-10-12-21(13-11-20)14-19(23)22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22;/h2-9H,10-14H2,1H3;1H
InChIKeyCMCCRAWNELHBKC-UHFFFAOYSA-N
XLogP3.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.93
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone;hydrochloride
CID 2861917
3-(4-methylpiperazin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-one;dihydrochloride
CID 2834211
1-(2-chlorophenothiazin-10-yl)-2-piperidin-1-ylethanone
CID 1114043
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
ethyl N-[10-[3-(4-methylpiperazin-1-yl)propanoyl]phenothiazin-2-yl]carbamate
CID 1393092
1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one dichloride
CID 51371251
2-(4-hydroxypiperidin-1-yl)-1-[2-(trifluoromethyl)phenothiazin-10-yl]ethanone
CID 1114039
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)ethanone
CID 1439137
2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995427
(E)-1-(2-chlorophenothiazin-10-yl)-N-[(4-methylpiperazin-1-yl)methyl]ethanimine
CID 45376988
1-(6-methylbenzo[c][1,2,5]benzothiadiazepin-11-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 57110008
1-(2-oxo-2-phenothiazin-10-ylethyl)aziridine-2-carbonitrile
CID 51351371

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride (CID 2873620) is 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride is CN1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1.Cl.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride?
The InChIKey is CMCCRAWNELHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS.ClH/c1-20-10-12-21(13-11-20)14-19(23)22-15-6-2-4-8-17(15)24-18-9-5-3-7-16(18)22;/h2-9H,10-14H2,1H3;1H.
What are the key properties of 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride?
2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride has a molecular weight of 375.93 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride is sourced from PubChem (CID 2873620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).