1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide

C20H22N4O4S — CID 42924948

IUPAC1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1
InChIInChI=1S/C20H22N4O4S/c25-19(21-17-6-2-1-3-7-17)15-5-4-10-24(13-15)20(26)16-8-9-18-22-29(27,28)12-11-23(18)14-16/h1-3,6-9,14-15H,4-5,10-13H2,(H,21,25)
InChIKeyPZQSGEYFFBNKGI-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.36
Rot. Bonds3

About 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide

1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 42924948) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide
PubChem CID42924948
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1
InChIInChI=1S/C20H22N4O4S/c25-19(21-17-6-2-1-3-7-17)15-5-4-10-24(13-15)20(26)16-8-9-18-22-29(27,28)12-11-23(18)14-16/h1-3,6-9,14-15H,4-5,10-13H2,(H,21,25)
InChIKeyPZQSGEYFFBNKGI-UHFFFAOYSA-N
XLogP1.36
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17395315
(3R)-1-(2-benzoylbenzoyl)-N-phenylpiperidine-3-carboxamide
CID 26049540
(3S)-1-(2-anilinobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 27745492
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
1-(2-oxo-1H-pyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 16872669
1-(6-methylpyridine-3-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 18149048
1-[(2R)-2-aminopropanoyl]-N-phenylpiperidine-3-carboxamide
CID 119275697
(3R)-1-(1H-indole-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 41129779
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
1-(4-cyanobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 46657993
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide (CID 42924948) is 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1.
What is the InChIKey of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is PZQSGEYFFBNKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-19(21-17-6-2-1-3-7-17)15-5-4-10-24(13-15)20(26)16-8-9-18-22-29(27,28)12-11-23(18)14-16/h1-3,6-9,14-15H,4-5,10-13H2,(H,21,25).
What are the key properties of 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide?
1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 414.49 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42924948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).