N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

C22H25N3O2S — CID 51163625

IUPACN-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2NC1=O
InChIInChI=1S/C22H25N3O2S/c1-15-21(26)24-19-13-17(7-8-20(19)28-15)22(27)23-18-9-11-25(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyAHWIJBYHVSITMV-UHFFFAOYSA-N
MW395.53 g/mol
LogP3.51
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide

N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (PubChem CID 51163625) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
PubChem CID51163625
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
SMILESCC1Sc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2NC1=O
InChIInChI=1S/C22H25N3O2S/c1-15-21(26)24-19-13-17(7-8-20(19)28-15)22(27)23-18-9-11-25(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,23,27)(H,24,26)
InChIKeyAHWIJBYHVSITMV-UHFFFAOYSA-N
XLogP3.51
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-1-methyl-3-oxo-2,4-dihydroquinoxaline-6-carboxamide
CID 55865593
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
2-methyl-3-oxo-N-(3-phenoxypropyl)-4H-1,4-benzothiazine-6-carboxamide
CID 51241507
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
N-cyclopentyl-2-(2-methyl-3-oxo-4H-1,4-benzothiazin-6-yl)acetamide
CID 110771581
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
2-methyl-N-[(3-methylphenyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 110764915
N-butyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 51155062
N-[5-[(1-benzylpiperidin-4-yl)carbamoyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 27673293
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide (CID 51163625) is N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is CC1Sc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2NC1=O.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
The InChIKey is AHWIJBYHVSITMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-21(26)24-19-13-17(7-8-20(19)28-15)22(27)23-18-9-11-25(12-10-18)14-16-5-3-2-4-6-16/h2-8,13,15,18H,9-12,14H2,1H3,(H,23,27)(H,24,26).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide has a molecular weight of 395.53 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 51163625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).