1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide

C15H18N4O3S — CID 56808850

IUPAC1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCOc1cccc2sc(NC(=O)N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C15H18N4O3S/c1-22-10-3-2-4-11-12(10)17-14(23-11)18-15(21)19-7-5-9(6-8-19)13(16)20/h2-4,9H,5-8H2,1H3,(H2,16,20)(H,17,18,21)
InChIKeyNGCAQLXBBGRKPH-UHFFFAOYSA-N
MW334.40 g/mol
LogP2.03
Rot. Bonds3

About 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide

1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide (PubChem CID 56808850) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
PubChem CID56808850
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Name1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
SMILESCOc1cccc2sc(NC(=O)N3CCC(C(N)=O)CC3)nc12
InChIInChI=1S/C15H18N4O3S/c1-22-10-3-2-4-11-12(10)17-14(23-11)18-15(21)19-7-5-9(6-8-19)13(16)20/h2-4,9H,5-8H2,1H3,(H2,16,20)(H,17,18,21)
InChIKeyNGCAQLXBBGRKPH-UHFFFAOYSA-N
XLogP2.03
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 51284534
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
CID 119271366
4-N-(4-methoxy-1,3-benzothiazol-2-yl)benzene-1,4-dicarboxamide
CID 78797293
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]piperidine-1-carboxamide
CID 11303889
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
N-[7-(1,4-dioxepan-6-yl)-4-methoxy-1,3-benzothiazol-2-yl]morpholine-4-carboxamide
CID 11326842
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892415
4-[4-methoxy-2-(morpholine-4-carbonylamino)-1,3-benzothiazol-7-yl]piperidine-1-carboxylic acid
CID 22719552
4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide (CID 56808850) is 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide is COc1cccc2sc(NC(=O)N3CCC(C(N)=O)CC3)nc12.
What is the InChIKey of 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
The InChIKey is NGCAQLXBBGRKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-22-10-3-2-4-11-12(10)17-14(23-11)18-15(21)19-7-5-9(6-8-19)13(16)20/h2-4,9H,5-8H2,1H3,(H2,16,20)(H,17,18,21).
What are the key properties of 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide?
1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide has a molecular weight of 334.40 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56808850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).