1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

C23H25ClN4O3S — CID 55858271

IUPAC1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)CC3Sc4ccc(Cl)cc4NC3=O)c2)CC1
InChIInChI=1S/C23H25ClN4O3S/c24-16-4-5-19-18(11-16)27-23(31)20(32-19)12-21(29)26-17-3-1-2-14(10-17)13-28-8-6-15(7-9-28)22(25)30/h1-5,10-11,15,20H,6-9,12-13H2,(H2,25,30)(H,26,29)(H,27,31)
InChIKeySBODRMFYFSAJLV-UHFFFAOYSA-N
MW473.00 g/mol
LogP3.48
Rot. Bonds6

About 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55858271) has the molecular formula C23H25ClN4O3S and a molecular weight of 473.00 g/mol. Its IUPAC name is 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID55858271
Molecular FormulaC23H25ClN4O3S
Molecular Weight473.00 g/mol
Exact Mass472.13
IUPAC Name1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)CC3Sc4ccc(Cl)cc4NC3=O)c2)CC1
InChIInChI=1S/C23H25ClN4O3S/c24-16-4-5-19-18(11-16)27-23(31)20(32-19)12-21(29)26-17-3-1-2-14(10-17)13-28-8-6-15(7-9-28)22(25)30/h1-5,10-11,15,20H,6-9,12-13H2,(H2,25,30)(H,26,29)(H,27,31)
InChIKeySBODRMFYFSAJLV-UHFFFAOYSA-N
XLogP3.48
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.00
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluorophenyl)acetamide
CID 51284892
3-[[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]amino]-N,N-diethylbenzamide
CID 32824641
1-[[3-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 51956887
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858769
N-(3-ethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 51165804
2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
CID 55958118
2-[(2R)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]-N-(4-nitrophenyl)acetamide
CID 7220977
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
3-[[2-[(2R)-3-oxo-6-(trifluoromethyl)-4H-1,4-benzothiazin-2-yl]acetyl]amino]benzoic acid
CID 1083708
N-[2-(4-bromoanilino)-2-oxoethyl]-2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetamide
CID 55960303
2-[2-(4-anilinopiperidin-1-yl)-2-oxoethyl]-6-chloro-4H-1,4-benzothiazin-3-one
CID 71888077
(3R)-1-[2-[(2S)-6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl]acetyl]-N-phenylpiperidine-3-carboxamide
CID 34326072

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 55858271) is 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(NC(=O)CC3Sc4ccc(Cl)cc4NC3=O)c2)CC1.
What is the InChIKey of 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is SBODRMFYFSAJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O3S/c24-16-4-5-19-18(11-16)27-23(31)20(32-19)12-21(29)26-17-3-1-2-14(10-17)13-28-8-6-15(7-9-28)22(25)30/h1-5,10-11,15,20H,6-9,12-13H2,(H2,25,30)(H,26,29)(H,27,31).
What are the key properties of 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 473.00 g/mol, XLogP of 3.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55858271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).