N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride

C18H26ClN3O2S — CID 119774008

IUPACN-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)CCNCC1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-17(2,3)16-21-13-6-5-12(11-14(13)24-16)20-15(22)18(23-4)7-9-19-10-8-18;/h5-6,11,19H,7-10H2,1-4H3,(H,20,22);1H
InChIKeyWRBKQBKYECZMBK-UHFFFAOYSA-N
MW383.95 g/mol
LogP3.72
Rot. Bonds3

About N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride

N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride (PubChem CID 119774008) has the molecular formula C18H26ClN3O2S and a molecular weight of 383.95 g/mol. Its IUPAC name is N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
PubChem CID119774008
Molecular FormulaC18H26ClN3O2S
Molecular Weight383.95 g/mol
Exact Mass383.14
IUPAC NameN-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride
SMILESCOC1(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)CCNCC1.Cl
InChIInChI=1S/C18H25N3O2S.ClH/c1-17(2,3)16-21-13-6-5-12(11-14(13)24-16)20-15(22)18(23-4)7-9-19-10-8-18;/h5-6,11,19H,7-10H2,1-4H3,(H,20,22);1H
InChIKeyWRBKQBKYECZMBK-UHFFFAOYSA-N
XLogP3.72
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.95
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 119317985
N-(3,4-dimethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119670646
4-methoxy-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119670964
2-amino-N-(2-tert-butyl-1,3-benzothiazol-6-yl)acetamide;hydrochloride
CID 119317982
4-methoxy-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide;hydrochloride
CID 119752834
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119684955
4-methoxy-N-[4-(phenylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119700736
N-(4-fluoro-3-methylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119707232
N-(3-bromo-4-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708380
N-(3-fluoro-4-methoxyphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705693
N-(4-chloro-3-fluorophenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708344
N-(4-chlorophenyl)-4-methoxypiperidine-4-carboxamide
CID 119671235

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride (CID 119774008) is N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride is COC1(C(=O)Nc2ccc3nc(C(C)(C)C)sc3c2)CCNCC1.Cl.
What is the InChIKey of N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
The InChIKey is WRBKQBKYECZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S.ClH/c1-17(2,3)16-21-13-6-5-12(11-14(13)24-16)20-15(22)18(23-4)7-9-19-10-8-18;/h5-6,11,19H,7-10H2,1-4H3,(H,20,22);1H.
What are the key properties of N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride?
N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride has a molecular weight of 383.95 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-1,3-benzothiazol-6-yl)-4-methoxypiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119774008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).