N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

C18H25N3O2S — CID 55723978

IUPACN-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCC1CCCN(CCNC(=O)CC2Sc3ccccc3NC2=O)C1
InChIInChI=1S/C18H25N3O2S/c1-13-5-4-9-21(12-13)10-8-19-17(22)11-16-18(23)20-14-6-2-3-7-15(14)24-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyKVELDOANIDADDS-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.34
Rot. Bonds5

About N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide

N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (PubChem CID 55723978) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
PubChem CID55723978
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
SMILESCC1CCCN(CCNC(=O)CC2Sc3ccccc3NC2=O)C1
InChIInChI=1S/C18H25N3O2S/c1-13-5-4-9-21(12-13)10-8-19-17(22)11-16-18(23)20-14-6-2-3-7-15(14)24-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,19,22)(H,20,23)
InChIKeyKVELDOANIDADDS-UHFFFAOYSA-N
XLogP2.34
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9472923
N-ethyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 729474
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 92696595
N-(2-methyl-3-piperidin-1-ylpropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55948234
N-[2-(ethylamino)-2-oxoethyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9224548
2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-piperidin-1-ylacetamide
CID 9271504
N-(1-methylpiperidin-4-yl)-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 30837864
(2R)-2-[2-[(4R)-4-methylazepan-1-yl]-2-oxoethyl]-4H-1,4-benzothiazin-3-one
CID 95141265
N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9472922
N-(3-butoxypropyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165918
N-cyclopentyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 700634
N-[2-(2-methylphenyl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 41013278

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The IUPAC name of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide (CID 55723978) is N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide.
What is the SMILES notation for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The canonical SMILES for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is CC1CCCN(CCNC(=O)CC2Sc3ccccc3NC2=O)C1.
What is the InChIKey of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
The InChIKey is KVELDOANIDADDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-5-4-9-21(12-13)10-8-19-17(22)11-16-18(23)20-14-6-2-3-7-15(14)24-16/h2-3,6-7,13,16H,4-5,8-12H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide?
N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide has a molecular weight of 347.48 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylpiperidin-1-yl)ethyl]-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide is sourced from PubChem (CID 55723978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).