N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride

C18H25Cl2N3O3S — CID 171329715

IUPACN,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)N(C)C(C)c1nccs1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-11-10-14(13-4-6-19-7-5-13)24-18(23)15(11)17(22)21(3)12(2)16-20-8-9-25-16;;/h8-10,12-13,19H,4-7H2,1-3H3;2*1H
InChIKeyUDAJPZNGWZBZTG-UHFFFAOYSA-N
MW434.39 g/mol
LogP3.55
Rot. Bonds4

About N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride

N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride (PubChem CID 171329715) has the molecular formula C18H25Cl2N3O3S and a molecular weight of 434.39 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride
PubChem CID171329715
Molecular FormulaC18H25Cl2N3O3S
Molecular Weight434.39 g/mol
Exact Mass433.10
IUPAC NameN,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride
SMILESCc1cc(C2CCNCC2)oc(=O)c1C(=O)N(C)C(C)c1nccs1.Cl.Cl
InChIInChI=1S/C18H23N3O3S.2ClH/c1-11-10-14(13-4-6-19-7-5-13)24-18(23)15(11)17(22)21(3)12(2)16-20-8-9-25-16;;/h8-10,12-13,19H,4-7H2,1-3H3;2*1H
InChIKeyUDAJPZNGWZBZTG-UHFFFAOYSA-N
XLogP3.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
CID 95128802
N-(5-fluoro-2-pyridinyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171713510
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-4-methyl-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171709461
4-methyl-2-oxo-6-piperidin-4-yl-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]pyran-3-carboxamide;hydrochloride
CID 171709744
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 50960045
(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
4-methyl-N-(1-methylindazol-3-yl)-2-oxo-6-piperidin-4-ylpyran-3-carboxamide;hydrochloride
CID 171711229
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95189063
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,4-dimethyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
CID 171710983
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
CID 170505270
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride?
The IUPAC name of N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride (CID 171329715) is N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride.
What is the SMILES notation for N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride?
The canonical SMILES for N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride is Cc1cc(C2CCNCC2)oc(=O)c1C(=O)N(C)C(C)c1nccs1.Cl.Cl.
What is the InChIKey of N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride?
The InChIKey is UDAJPZNGWZBZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S.2ClH/c1-11-10-14(13-4-6-19-7-5-13)24-18(23)15(11)17(22)21(3)12(2)16-20-8-9-25-16;;/h8-10,12-13,19H,4-7H2,1-3H3;2*1H.
What are the key properties of N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride?
N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride is sourced from PubChem (CID 171329715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).