3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

C22H29ClN4OS — CID 119391157

IUPAC3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1c2ccccc2Sc2ccccc21)NCCCN1CCNCC1
InChIInChI=1S/C22H28N4OS.ClH/c27-22(24-11-5-14-25-16-12-23-13-17-25)10-15-26-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)26;/h1-4,6-9,23H,5,10-17H2,(H,24,27);1H
InChIKeyCDDYRTFFRKRGHT-UHFFFAOYSA-N
MW433.02 g/mol
LogP3.51
Rot. Bonds7

About 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride

3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 119391157) has the molecular formula C22H29ClN4OS and a molecular weight of 433.02 g/mol. Its IUPAC name is 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID119391157
Molecular FormulaC22H29ClN4OS
Molecular Weight433.02 g/mol
Exact Mass432.18
IUPAC Name3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCN1c2ccccc2Sc2ccccc21)NCCCN1CCNCC1
InChIInChI=1S/C22H28N4OS.ClH/c27-22(24-11-5-14-25-16-12-23-13-17-25)10-15-26-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)26;/h1-4,6-9,23H,5,10-17H2,(H,24,27);1H
InChIKeyCDDYRTFFRKRGHT-UHFFFAOYSA-N
XLogP3.51
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.02
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-4-phenyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394229
N-(3-imidazol-1-ylpropyl)-3-phenothiazin-10-ylpropanamide
CID 35513225
N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
CID 119505196
N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide
CID 119293982
N-[4-oxo-4-(3-piperazin-1-ylpropylamino)butyl]benzamide
CID 119394389
10-(3-piperazin-1-ylpropyl)phenothiazine-2-carboxamide
CID 25008399
3-(2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391836
2-chloro-10-(3-piperazin-1-ylpropyl)phenothiazine;hydrochloride
CID 178190515
N-[3-oxo-3-(3-piperazin-1-ylpropylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119393805
4-methoxy-N-(3-phenothiazin-10-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119731855
N-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethyl]benzamide;hydrochloride
CID 119393183
2-(2-chlorophenyl)sulfanyl-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392698

Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 119391157) is 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is Cl.O=C(CCN1c2ccccc2Sc2ccccc21)NCCCN1CCNCC1.
What is the InChIKey of 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is CDDYRTFFRKRGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS.ClH/c27-22(24-11-5-14-25-16-12-23-13-17-25)10-15-26-18-6-1-3-8-20(18)28-21-9-4-2-7-19(21)26;/h1-4,6-9,23H,5,10-17H2,(H,24,27);1H.
What are the key properties of 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 433.02 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenothiazin-10-yl-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 119391157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).