(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C16H25ClN4O3S — CID 119648071

IUPAC(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.Cl
InChIInChI=1S/C16H24N4O3S.ClH/c1-2-17-11-13-5-7-19(8-6-13)16(21)14-3-4-15-18-24(22,23)10-9-20(15)12-14;/h3-4,12-13,17H,2,5-11H2,1H3;1H
InChIKeyYXKNCYRBCGYJAV-UHFFFAOYSA-N
MW388.92 g/mol
LogP0.75
Rot. Bonds4

About (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride

(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119648071) has the molecular formula C16H25ClN4O3S and a molecular weight of 388.92 g/mol. Its IUPAC name is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119648071
Molecular FormulaC16H25ClN4O3S
Molecular Weight388.92 g/mol
Exact Mass388.13
IUPAC Name(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.Cl
InChIInChI=1S/C16H24N4O3S.ClH/c1-2-17-11-13-5-7-19(8-6-13)16(21)14-3-4-15-18-24(22,23)10-9-20(15)12-14;/h3-4,12-13,17H,2,5-11H2,1H3;1H
InChIKeyYXKNCYRBCGYJAV-UHFFFAOYSA-N
XLogP0.75
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbonyl)piperidine-3-carboxylic acid
CID 119113438
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxylate
CID 95351884
[4-(ethylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 80552437
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 119645537
N-[2-(2-methylphenyl)ethyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 26661166
(1,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646075
(2,5-dimethylpyrazol-3-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647002
N-cyclopropyl-2,2-dioxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide
CID 30832399
[4-(ethylaminomethyl)piperidin-1-yl]-(2,4,6-trimethylphenyl)methanone
CID 80550728
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597
[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989

Frequently Asked Questions

What is the IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119648071) is (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CCNCC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1.Cl.
What is the InChIKey of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is YXKNCYRBCGYJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S.ClH/c1-2-17-11-13-5-7-19(8-6-13)16(21)14-3-4-15-18-24(22,23)10-9-20(15)12-14;/h3-4,12-13,17H,2,5-11H2,1H3;1H.
What are the key properties of (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 388.92 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119648071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).