3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

C21H25N3O2S — CID 71802264

IUPAC3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cnc2n(c1=O)CC(C(=O)N1CCC(Cc3ccccc3)CC1)CS2
InChIInChI=1S/C21H25N3O2S/c1-15-12-22-21-24(19(15)25)13-18(14-27-21)20(26)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,12,17-18H,7-11,13-14H2,1H3
InChIKeyJJKFJGRSYQHQOY-UHFFFAOYSA-N
MW383.52 g/mol
LogP2.75
Rot. Bonds3

About 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one

3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (PubChem CID 71802264) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.

Molecular Properties

Compound Name3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
PubChem CID71802264
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
SMILESCc1cnc2n(c1=O)CC(C(=O)N1CCC(Cc3ccccc3)CC1)CS2
InChIInChI=1S/C21H25N3O2S/c1-15-12-22-21-24(19(15)25)13-18(14-27-21)20(26)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,12,17-18H,7-11,13-14H2,1H3
InChIKeyJJKFJGRSYQHQOY-UHFFFAOYSA-N
XLogP2.75
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one with MolForge

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Related Compounds

5-(1-Butyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470251
5-(1-Methyl-2-oxo-1,2-dihydro-pyridin-4-ylmethyl)-2-(8-phenyl-octylsulfanyl)-1H-pyrimidin-4-one
CID 18470283
2-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259104
2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135519949
2-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7256701
2-[2-(4-Benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259272
4-amino-2-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135424123
7,7'-(phenylmethylene)bis(8-hydroxy-3,4-dihydropyrimido[2,1-b][1,3]thiazin-6(2H)-one)
CID 135427821
2-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-6-ethylpyrimidin-4(3H)-one
CID 135561507
2-((2-(4-benzylpiperidin-1-yl)-2-oxoethyl)thio)-5,6-dimethylpyrimidin-4(3H)-one
CID 135561782
8-hydroxy-7-[(2E)-3-phenylprop-2-en-1-yl]-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one
CID 135449556
4-benzyl-5-(1-piperidylmethyl)-2-sec-butylsulfanyl-1H-pyrimidin-6-one
CID 135511200

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The IUPAC name of 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one (CID 71802264) is 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one.
What is the SMILES notation for 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The canonical SMILES for 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is Cc1cnc2n(c1=O)CC(C(=O)N1CCC(Cc3ccccc3)CC1)CS2.
What is the InChIKey of 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
The InChIKey is JJKFJGRSYQHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-12-22-21-24(19(15)25)13-18(14-27-21)20(26)23-9-7-17(8-10-23)11-16-5-3-2-4-6-16/h2-6,12,17-18H,7-11,13-14H2,1H3.
What are the key properties of 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one?
3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one has a molecular weight of 383.52 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperidine-1-carbonyl)-7-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one is sourced from PubChem (CID 71802264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).