N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride

C14H18ClN3O2S — CID 119271366

IUPACN-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc2sc(NC(=O)C3CCNCC3)nc12.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-19-10-3-2-4-11-12(10)16-14(20-11)17-13(18)9-5-7-15-8-6-9;/h2-4,9,15H,5-8H2,1H3,(H,16,17,18);1H
InChIKeyACGQJOIWDIBFCN-UHFFFAOYSA-N
MW327.84 g/mol
LogP2.66
Rot. Bonds3

About N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride

N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119271366) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID119271366
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC NameN-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCOc1cccc2sc(NC(=O)C3CCNCC3)nc12.Cl
InChIInChI=1S/C14H17N3O2S.ClH/c1-19-10-3-2-4-11-12(10)16-14(20-11)17-13(18)9-5-7-15-8-6-9;/h2-4,9,15H,5-8H2,1H3,(H,16,17,18);1H
InChIKeyACGQJOIWDIBFCN-UHFFFAOYSA-N
XLogP2.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 43952131
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
1-(2,2-dimethylpropanoyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 51284534
(2R,3S)-N-(4-methoxy-1,3-benzothiazol-2-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919401
(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 22283036
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
1-(3,4-difluorophenyl)sulfonyl-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892415
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 2150738
1-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56808850
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 31892479
1-(2,4-dimethoxyphenyl)-3-(4-methoxy-1,3-benzothiazol-2-yl)urea
CID 121080247
N-(4-methoxy-1,3-benzothiazol-2-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 31892224

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride (CID 119271366) is N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride is COc1cccc2sc(NC(=O)C3CCNCC3)nc12.Cl.
What is the InChIKey of N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ACGQJOIWDIBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c1-19-10-3-2-4-11-12(10)16-14(20-11)17-13(18)9-5-7-15-8-6-9;/h2-4,9,15H,5-8H2,1H3,(H,16,17,18);1H.
What are the key properties of N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride?
N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119271366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).