1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide

C15H19N3O2S — CID 71802530

IUPAC1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1
InChIInChI=1S/C15H19N3O2S/c1-16-14(19)10-5-7-18(8-6-10)15-17-12-4-3-11(20-2)9-13(12)21-15/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyJVXOFJHUWVLEHC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.27
Rot. Bonds3

About 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide

1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide (PubChem CID 71802530) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
PubChem CID71802530
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1
InChIInChI=1S/C15H19N3O2S/c1-16-14(19)10-5-7-18(8-6-10)15-17-12-4-3-11(20-2)9-13(12)21-15/h3-4,9-10H,5-8H2,1-2H3,(H,16,19)
InChIKeyJVXOFJHUWVLEHC-UHFFFAOYSA-N
XLogP2.27
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611504
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 90611616
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514
N-(2,4-dimethylphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611532
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
methyl 2-[[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]amino]benzoate
CID 90611521
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-[2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 90611566
1-[5-(4-methoxyphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-N-methylpiperidine-4-carboxamide
CID 53187197
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 90611573

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide (CID 71802530) is 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(c2nc3ccc(OC)cc3s2)CC1.
What is the InChIKey of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide?
The InChIKey is JVXOFJHUWVLEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-14(19)10-5-7-18(8-6-10)15-17-12-4-3-11(20-2)9-13(12)21-15/h3-4,9-10H,5-8H2,1-2H3,(H,16,19).
What are the key properties of 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide?
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 71802530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).