N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

C23H29FN4OS — CID 20876365

IUPACN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C23H29FN4OS/c1-26-15-16-30-22-8-3-18(17-21(22)26)23(29)25-9-2-10-27-11-13-28(14-12-27)20-6-4-19(24)5-7-20/h3-8,17H,2,9-16H2,1H3,(H,25,29)
InChIKeyMFTMDZGBHBIWFG-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.31
Rot. Bonds6

About N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide

N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (PubChem CID 20876365) has the molecular formula C23H29FN4OS and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
PubChem CID20876365
Molecular FormulaC23H29FN4OS
Molecular Weight428.58 g/mol
Exact Mass428.20
IUPAC NameN-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide
SMILESCN1CCSc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21
InChIInChI=1S/C23H29FN4OS/c1-26-15-16-30-22-8-3-18(17-21(22)26)23(29)25-9-2-10-27-11-13-28(14-12-27)20-6-4-19(24)5-7-20/h3-8,17H,2,9-16H2,1H3,(H,25,29)
InChIKeyMFTMDZGBHBIWFG-UHFFFAOYSA-N
XLogP3.31
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224820
3,4-diethoxy-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]benzamide
CID 42224898
N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]-3,4-difluorobenzamide
CID 42273607
4-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-oxobutanamide
CID 20899604
3,5-difluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 31568208
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-3-methylbenzamide
CID 42266695
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 42224892
3,4-dichloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]benzamide
CID 42273536
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266693
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-6-oxo-5,6a,7,8,9,10-hexahydropyrido[1,2-a]quinoxaline-3-carboxamide
CID 46349925
3-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]benzamide
CID 42266643
4-chloro-N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethylamino]-4-oxobutyl]benzamide
CID 34989376

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The IUPAC name of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide (CID 20876365) is N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide.
What is the SMILES notation for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The canonical SMILES for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is CN1CCSc2ccc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)cc21.
What is the InChIKey of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
The InChIKey is MFTMDZGBHBIWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4OS/c1-26-15-16-30-22-8-3-18(17-21(22)26)23(29)25-9-2-10-27-11-13-28(14-12-27)20-6-4-19(24)5-7-20/h3-8,17H,2,9-16H2,1H3,(H,25,29).
What are the key properties of N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide?
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-methyl-2,3-dihydro-1,4-benzothiazine-6-carboxamide is sourced from PubChem (CID 20876365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).