N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide

C20H20Cl2N4O4S — CID 55669970

IUPACN-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C20H20Cl2N4O4S/c21-15-7-6-13(12-16(15)22)23-19(27)17-5-1-2-9-26(17)20(28)14-4-3-8-25-10-11-31(29,30)24-18(14)25/h3-4,6-8,12,17H,1-2,5,9-11H2,(H,23,27)
InChIKeyIWRDXEBSJJNTHJ-UHFFFAOYSA-N
MW483.38 g/mol
LogP2.81
Rot. Bonds3

About N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide

N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide (PubChem CID 55669970) has the molecular formula C20H20Cl2N4O4S and a molecular weight of 483.38 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide
PubChem CID55669970
Molecular FormulaC20H20Cl2N4O4S
Molecular Weight483.38 g/mol
Exact Mass482.06
IUPAC NameN-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12
InChIInChI=1S/C20H20Cl2N4O4S/c21-15-7-6-13(12-16(15)22)23-19(27)17-5-1-2-9-26(17)20(28)14-4-3-8-25-10-11-31(29,30)24-18(14)25/h3-4,6-8,12,17H,1-2,5,9-11H2,(H,23,27)
InChIKeyIWRDXEBSJJNTHJ-UHFFFAOYSA-N
XLogP2.81
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-1-(2-methylsulfanylpropanoyl)piperidine-2-carboxamide
CID 55690843
(2S)-N-(3,4-dichlorophenyl)-1-[(2R)-2-methylsulfonylpropanoyl]piperidine-2-carboxamide
CID 95649557
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
N-(3,4-dichlorophenyl)-1-(1-pyrimidin-2-ylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55760332
N-(4-ethoxyphenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 8777025
2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
methyl 1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylate
CID 78915612
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
CID 119955394
(2S)-1-[(3,4-dichlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61137254
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide (CID 55669970) is N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCN1C(=O)C1=CC=CN2CCS(=O)(=O)N=C12.
What is the InChIKey of N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide?
The InChIKey is IWRDXEBSJJNTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O4S/c21-15-7-6-13(12-16(15)22)23-19(27)17-5-1-2-9-26(17)20(28)14-4-3-8-25-10-11-31(29,30)24-18(14)25/h3-4,6-8,12,17H,1-2,5,9-11H2,(H,23,27).
What are the key properties of N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide?
N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide has a molecular weight of 483.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55669970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).