3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

C19H27ClN4O3S — CID 120580056

IUPAC3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H26N4O3S.ClH/c20-9-8-17(24)21-11-14-5-3-4-10-22(14)18(25)12-23-15-6-1-2-7-16(15)27-13-19(23)26;/h1-2,6-7,14H,3-5,8-13,20H2,(H,21,24);1H
InChIKeyQSWNNNUEXWAARJ-UHFFFAOYSA-N
MW426.97 g/mol
LogP1.39
Rot. Bonds6

About 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride

3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (PubChem CID 120580056) has the molecular formula C19H27ClN4O3S and a molecular weight of 426.97 g/mol. Its IUPAC name is 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
PubChem CID120580056
Molecular FormulaC19H27ClN4O3S
Molecular Weight426.97 g/mol
Exact Mass426.15
IUPAC Name3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
SMILESCl.NCCC(=O)NCC1CCCCN1C(=O)CN1C(=O)CSc2ccccc21
InChIInChI=1S/C19H26N4O3S.ClH/c20-9-8-17(24)21-11-14-5-3-4-10-22(14)18(25)12-23-15-6-1-2-7-16(15)27-13-19(23)26;/h1-2,6-7,14H,3-5,8-13,20H2,(H,21,24);1H
InChIKeyQSWNNNUEXWAARJ-UHFFFAOYSA-N
XLogP1.39
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride with MolForge

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Related Compounds

4-[2-[2-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 119466724
3-amino-N-[[1-(4-oxo-4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579480
3-amino-N-[[1-[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120580314
3-amino-N-[[1-[2-(2-methylbenzimidazol-1-yl)acetyl]piperidin-2-yl]methyl]propanamide;dihydrochloride
CID 120578364
4-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-benzothiazin-3-one
CID 97279628
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
4-[2-[2-(4-methoxyphenyl)azepan-1-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 134031168
4-[2-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-2-oxoethyl]-1,4-benzothiazin-3-one
CID 95590167
3-amino-N-[[1-[3-(2-fluorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide
CID 120580345
3-amino-N-[[1-[3-(4-chlorophenoxy)propanoyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120578788
N-[2-(aminomethyl)cyclohexyl]-2-(3-oxo-1,4-benzothiazin-4-yl)acetamide;hydrochloride
CID 119609714

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride (CID 120580056) is 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is Cl.NCCC(=O)NCC1CCCCN1C(=O)CN1C(=O)CSc2ccccc21.
What is the InChIKey of 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
The InChIKey is QSWNNNUEXWAARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S.ClH/c20-9-8-17(24)21-11-14-5-3-4-10-22(14)18(25)12-23-15-6-1-2-7-16(15)27-13-19(23)26;/h1-2,6-7,14H,3-5,8-13,20H2,(H,21,24);1H.
What are the key properties of 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride?
3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride has a molecular weight of 426.97 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[1-[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]piperidin-2-yl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120580056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).