N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide

C17H19N3O3S — CID 122138438

IUPACN-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-1-2-15-16(7-13)23-11-22-15)12-3-5-20(6-4-12)9-14-8-18-10-24-14/h1-2,7-8,10,12H,3-6,9,11H2,(H,19,21)
InChIKeyHKTLXLJMLDGCGL-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.72
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide (PubChem CID 122138438) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide
PubChem CID122138438
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cncs2)CC1
InChIInChI=1S/C17H19N3O3S/c21-17(19-13-1-2-15-16(7-13)23-11-22-15)12-3-5-20(6-4-12)9-14-8-18-10-24-14/h1-2,7-8,10,12H,3-6,9,11H2,(H,19,21)
InChIKeyHKTLXLJMLDGCGL-UHFFFAOYSA-N
XLogP2.72
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43921459
N-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-ylmethyl)piperidine-4-carboxamide
CID 8995705
N-(1,3-benzodioxol-5-yl)-1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-4-carboxamide
CID 8995887
N-(1,3-benzodioxol-5-yl)-1-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 3244536
N-(1,3-benzodioxol-5-yl)-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43921462
N-(1,3-benzodioxol-5-yl)-1-[(1-benzylpyrrol-3-yl)methyl]piperidine-4-carboxamide
CID 167806403
N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidine-4-carboxamide
CID 8995762
N-(1,3-benzodioxol-5-yl)-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 17414500
N-(1,3-benzodioxol-5-yl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224462
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686
N-(1,3-benzodioxol-5-yl)-1-(3-thiophen-2-ylpropanoyl)piperidine-4-carboxamide
CID 41411099
4-N-(1,3-benzodioxol-5-yl)-1-N-(pyridin-4-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148941

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide (CID 122138438) is N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide is O=C(Nc1ccc2c(c1)OCO2)C1CCN(Cc2cncs2)CC1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide?
The InChIKey is HKTLXLJMLDGCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-17(19-13-1-2-15-16(7-13)23-11-22-15)12-3-5-20(6-4-12)9-14-8-18-10-24-14/h1-2,7-8,10,12H,3-6,9,11H2,(H,19,21).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-(1,3-thiazol-5-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 122138438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).