(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone

C19H22N3OS+ — CID 7368449

IUPAC(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
SMILESCC[NH+]1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C19H21N3OS/c1-2-20-11-13-21(14-12-20)19(23)22-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)22/h3-10H,2,11-14H2,1H3/p+1
InChIKeyULYNIJIGMBYGMQ-UHFFFAOYSA-O
MW340.47 g/mol
LogP2.63
Rot. Bonds1

About (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone

(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone (PubChem CID 7368449) has the molecular formula C19H22N3OS+ and a molecular weight of 340.47 g/mol. Its IUPAC name is (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone.

Molecular Properties

Compound Name(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
PubChem CID7368449
Molecular FormulaC19H22N3OS+
Molecular Weight340.47 g/mol
Exact Mass340.15
IUPAC Name(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone
SMILESCC[NH+]1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
InChIInChI=1S/C19H21N3OS/c1-2-20-11-13-21(14-12-20)19(23)22-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)22/h3-10H,2,11-14H2,1H3/p+1
InChIKeyULYNIJIGMBYGMQ-UHFFFAOYSA-O
XLogP2.63
TPSA27.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenothiazin-10-yl-(4-phenylpiperazin-1-yl)methanone
CID 1313122
1-phenothiazin-10-yl-2-pyrrolidin-1-ium-1-ylethanone
CID 6955810
[4-(4-methoxyphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 982285
[4-(2,5-dimethylphenyl)piperazin-1-yl]-phenothiazin-10-ylmethanone
CID 23102337
2,3-dihydroindol-1-yl(phenothiazin-10-yl)methanone
CID 880577
1-(phenothiazine-10-carbonyl)piperidine-3-carboxamide
CID 19056988
(4-ethylpiperazin-4-ium-1-yl)-thiophen-2-ylmethanone
CID 6965529
1-(2-chlorophenothiazin-10-yl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone dichloride
CID 43834134
N-[1-(phenothiazine-10-carbonyl)piperidin-4-yl]adamantane-1-carboxamide
CID 3218498
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-phenothiazin-10-ylmethanone
CID 6581037
(2,6-difluorophenyl)-(4-ethylpiperazin-4-ium-1-yl)methanone
CID 7285657
2-(4-methylpiperazin-1-yl)-1-phenothiazin-10-ylethanone;hydrochloride
CID 2873620

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone?
The IUPAC name of (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone (CID 7368449) is (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone.
What is the SMILES notation for (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone?
The canonical SMILES for (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone is CC[NH+]1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1.
What is the InChIKey of (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone?
The InChIKey is ULYNIJIGMBYGMQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H21N3OS/c1-2-20-11-13-21(14-12-20)19(23)22-15-7-3-5-9-17(15)24-18-10-6-4-8-16(18)22/h3-10H,2,11-14H2,1H3/p+1.
What are the key properties of (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone?
(4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone has a molecular weight of 340.47 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-4-ium-1-yl)-phenothiazin-10-ylmethanone is sourced from PubChem (CID 7368449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).