N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide

C22H27N3OS — CID 1278258

IUPACN-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide
SMILESCC1(C)CC(NC(=O)N2c3ccccc3Sc3ccccc32)CC(C)(C)N1
InChIInChI=1S/C22H27N3OS/c1-21(2)13-15(14-22(3,4)24-21)23-20(26)25-16-9-5-7-11-18(16)27-19-12-8-6-10-17(19)25/h5-12,15,24H,13-14H2,1-4H3,(H,23,26)
InChIKeyYHHSUMUYBDRSMV-UHFFFAOYSA-N
MW381.55 g/mol
LogP5.31
Rot. Bonds1

About N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide

N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide (PubChem CID 1278258) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide.

Molecular Properties

Compound NameN-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide
PubChem CID1278258
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide
SMILESCC1(C)CC(NC(=O)N2c3ccccc3Sc3ccccc32)CC(C)(C)N1
InChIInChI=1S/C22H27N3OS/c1-21(2)13-15(14-22(3,4)24-21)23-20(26)25-16-9-5-7-11-18(16)27-19-12-8-6-10-17(19)25/h5-12,15,24H,13-14H2,1-4H3,(H,23,26)
InChIKeyYHHSUMUYBDRSMV-UHFFFAOYSA-N
XLogP5.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.55
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide?
The IUPAC name of N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide (CID 1278258) is N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide.
What is the SMILES notation for N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide?
The canonical SMILES for N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide is CC1(C)CC(NC(=O)N2c3ccccc3Sc3ccccc32)CC(C)(C)N1.
What is the InChIKey of N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide?
The InChIKey is YHHSUMUYBDRSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-21(2)13-15(14-22(3,4)24-21)23-20(26)25-16-9-5-7-11-18(16)27-19-12-8-6-10-17(19)25/h5-12,15,24H,13-14H2,1-4H3,(H,23,26).
What are the key properties of N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide?
N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 5.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,6,6-tetramethylpiperidin-4-yl)phenothiazine-10-carboxamide is sourced from PubChem (CID 1278258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).