N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C19H27N3O3S — CID 166606098

IUPACN-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c2sc(N3CCCC(C(=O)NC(C)(C)C)C3)nc12
InChIInChI=1S/C19H27N3O3S/c1-19(2,3)21-17(23)12-7-6-10-22(11-12)18-20-15-13(24-4)8-9-14(25-5)16(15)26-18/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,23)
InChIKeyQFCXJYLWKZPCEW-UHFFFAOYSA-N
MW377.51 g/mol
LogP3.44
Rot. Bonds4

About N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (PubChem CID 166606098) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
PubChem CID166606098
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC NameN-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
SMILESCOc1ccc(OC)c2sc(N3CCCC(C(=O)NC(C)(C)C)C3)nc12
InChIInChI=1S/C19H27N3O3S/c1-19(2,3)21-17(23)12-7-6-10-22(11-12)18-20-15-13(24-4)8-9-14(25-5)16(15)26-18/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,23)
InChIKeyQFCXJYLWKZPCEW-UHFFFAOYSA-N
XLogP3.44
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-tert-butyl-1-(4-methylsulfonyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 165435183
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)azetidine-3-carboxylic acid
CID 52903711
1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171705298
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
[1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanol
CID 154580821
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976420
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
[1-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 166603590
1-(4-fluoro-1,3-benzothiazol-2-yl)-N-(3,4,5-trimethoxyphenyl)piperidine-3-carboxamide
CID 90610546
N-tert-butyl-1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidine-3-carboxamide
CID 166602184
N-(2-methoxy-5-methylphenyl)-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 90611784
(3R)-N-tert-butyl-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452556

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide (CID 166606098) is N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is COc1ccc(OC)c2sc(N3CCCC(C(=O)NC(C)(C)C)C3)nc12.
What is the InChIKey of N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
The InChIKey is QFCXJYLWKZPCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-19(2,3)21-17(23)12-7-6-10-22(11-12)18-20-15-13(24-4)8-9-14(25-5)16(15)26-18/h8-9,12H,6-7,10-11H2,1-5H3,(H,21,23).
What are the key properties of N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide?
N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4,7-dimethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 166606098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).