7-piperidin-1-yl-2-propylphenothiazin-3-one

C20H22N2OS — CID 134318187

IUPAC7-piperidin-1-yl-2-propylphenothiazin-3-one
SMILESCCCc1cc2nc3ccc(N4CCCCC4)cc3sc-2cc1=O
InChIInChI=1S/C20H22N2OS/c1-2-6-14-11-17-20(13-18(14)23)24-19-12-15(7-8-16(19)21-17)22-9-4-3-5-10-22/h7-8,11-13H,2-6,9-10H2,1H3
InChIKeyVNVYPZMGZJZAAA-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.70
Rot. Bonds3

About 7-piperidin-1-yl-2-propylphenothiazin-3-one

7-piperidin-1-yl-2-propylphenothiazin-3-one (PubChem CID 134318187) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 7-piperidin-1-yl-2-propylphenothiazin-3-one.

Molecular Properties

Compound Name7-piperidin-1-yl-2-propylphenothiazin-3-one
PubChem CID134318187
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name7-piperidin-1-yl-2-propylphenothiazin-3-one
SMILESCCCc1cc2nc3ccc(N4CCCCC4)cc3sc-2cc1=O
InChIInChI=1S/C20H22N2OS/c1-2-6-14-11-17-20(13-18(14)23)24-19-12-15(7-8-16(19)21-17)22-9-4-3-5-10-22/h7-8,11-13H,2-6,9-10H2,1H3
InChIKeyVNVYPZMGZJZAAA-UHFFFAOYSA-N
XLogP4.70
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-piperidin-1-yl-2-propylphenothiazin-3-one?
The IUPAC name of 7-piperidin-1-yl-2-propylphenothiazin-3-one (CID 134318187) is 7-piperidin-1-yl-2-propylphenothiazin-3-one.
What is the SMILES notation for 7-piperidin-1-yl-2-propylphenothiazin-3-one?
The canonical SMILES for 7-piperidin-1-yl-2-propylphenothiazin-3-one is CCCc1cc2nc3ccc(N4CCCCC4)cc3sc-2cc1=O.
What is the InChIKey of 7-piperidin-1-yl-2-propylphenothiazin-3-one?
The InChIKey is VNVYPZMGZJZAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-2-6-14-11-17-20(13-18(14)23)24-19-12-15(7-8-16(19)21-17)22-9-4-3-5-10-22/h7-8,11-13H,2-6,9-10H2,1H3.
What are the key properties of 7-piperidin-1-yl-2-propylphenothiazin-3-one?
7-piperidin-1-yl-2-propylphenothiazin-3-one has a molecular weight of 338.48 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperidin-1-yl-2-propylphenothiazin-3-one is sourced from PubChem (CID 134318187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).