N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide

C20H21FN4O4S — CID 43060535

IUPACN-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O4S/c21-16-4-1-14(2-5-16)19(26)22-17-7-9-24(10-8-17)20(27)15-3-6-18-23-30(28,29)12-11-25(18)13-15/h1-6,13,17H,7-12H2,(H,22,26)
InChIKeyMZMKYXKWNOONSA-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.04
Rot. Bonds3

About N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide

N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide (PubChem CID 43060535) has the molecular formula C20H21FN4O4S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide
PubChem CID43060535
Molecular FormulaC20H21FN4O4S
Molecular Weight432.48 g/mol
Exact Mass432.13
IUPAC NameN-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide
SMILESO=C(NC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O4S/c21-16-4-1-14(2-5-16)19(26)22-17-7-9-24(10-8-17)20(27)15-3-6-18-23-30(28,29)12-11-25(18)13-15/h1-6,13,17H,7-12H2,(H,22,26)
InChIKeyMZMKYXKWNOONSA-UHFFFAOYSA-N
XLogP1.04
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]benzamide
CID 32506646
N-(1-chloropiperidin-4-yl)-4-fluorobenzamide
CID 89224691
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
4-fluoro-N-[1-(2-methylbutanoyl)piperidin-4-yl]benzamide
CID 46592883
2-[(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)amino]acetic acid
CID 119171461
N-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 32508392
N-(1,4-dimethylcyclohexyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 47091580
N-[1-(3,6-dichloro-2-methoxybenzoyl)piperidin-4-yl]-4-fluorobenzamide
CID 108559370
2-[4-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)morpholin-2-yl]acetic acid
CID 119248345
N-(1-acetylpyrrolidin-3-yl)-4-fluorobenzamide
CID 110871339
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477
4-fluoro-N-[1-(2-hydroxy-5-methylbenzoyl)piperidin-4-yl]benzamide
CID 32507439

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide (CID 43060535) is N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide is O=C(NC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is MZMKYXKWNOONSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O4S/c21-16-4-1-14(2-5-16)19(26)22-17-7-9-24(10-8-17)20(27)15-3-6-18-23-30(28,29)12-11-25(18)13-15/h1-6,13,17H,7-12H2,(H,22,26).
What are the key properties of N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide?
N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 432.48 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 43060535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).