N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

C24H31N3OS — CID 92875411

IUPACN-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2S1
InChIInChI=1S/C24H31N3OS/c1-2-21-17-27(22-10-6-7-11-23(22)29-21)18-24(28)25-20-12-14-26(15-13-20)16-19-8-4-3-5-9-19/h3-11,20-21H,2,12-18H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyNVKNLBZDMSLTNW-NRFANRHFSA-N
MW409.60 g/mol
LogP4.16
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide

N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide (PubChem CID 92875411) has the molecular formula C24H31N3OS and a molecular weight of 409.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
PubChem CID92875411
Molecular FormulaC24H31N3OS
Molecular Weight409.60 g/mol
Exact Mass409.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
SMILESCC[C@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2S1
InChIInChI=1S/C24H31N3OS/c1-2-21-17-27(22-10-6-7-11-23(22)29-21)18-24(28)25-20-12-14-26(15-13-20)16-19-8-4-3-5-9-19/h3-11,20-21H,2,12-18H2,1H3,(H,25,28)/t21-/m0/s1
InChIKeyNVKNLBZDMSLTNW-NRFANRHFSA-N
XLogP4.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide with MolForge

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
2-[(2R)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 92875430
2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 92713185
N-cycloheptyl-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92713130
N-(3,5-dimethylphenyl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide
CID 92875399
N-[(1-benzylpiperidin-4-yl)carbamothioyl]propanamide
CID 17176578
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(1-benzylpiperidin-4-yl)acetamide
CID 11932070
N-(1-benzylpiperidin-4-yl)-2-cyanoacetamide
CID 22689014
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-(1-benzylpiperidin-4-yl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 34363205
1-(4-benzylpiperazin-1-yl)-2-[(2R)-2-methyl-2,3-dihydro-1,4-benzothiazin-4-yl]ethanone
CID 92875216
2-(2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46352691

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide (CID 92875411) is N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide is CC[C@H]1CN(CC(=O)NC2CCN(Cc3ccccc3)CC2)c2ccccc2S1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
The InChIKey is NVKNLBZDMSLTNW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3OS/c1-2-21-17-27(22-10-6-7-11-23(22)29-21)18-24(28)25-20-12-14-26(15-13-20)16-19-8-4-3-5-9-19/h3-11,20-21H,2,12-18H2,1H3,(H,25,28)/t21-/m0/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide?
N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide has a molecular weight of 409.60 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-[(2S)-2-ethyl-2,3-dihydro-1,4-benzothiazin-4-yl]acetamide is sourced from PubChem (CID 92875411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).