N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide

C23H34N4OS — CID 20889620

IUPACN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCC1CCCC(C)N1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1
InChIInChI=1S/C23H34N4OS/c1-17-8-6-9-18(2)27(17)15-7-12-24-22(28)19-10-11-20-21(16-19)29-23(25-20)26-13-4-3-5-14-26/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,24,28)
InChIKeyHGWXXIZNTGIZDG-UHFFFAOYSA-N
MW414.62 g/mol
LogP4.67
Rot. Bonds6

About N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide

N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide (PubChem CID 20889620) has the molecular formula C23H34N4OS and a molecular weight of 414.62 g/mol. Its IUPAC name is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
PubChem CID20889620
Molecular FormulaC23H34N4OS
Molecular Weight414.62 g/mol
Exact Mass414.25
IUPAC NameN-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
SMILESCC1CCCC(C)N1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1
InChIInChI=1S/C23H34N4OS/c1-17-8-6-9-18(2)27(17)15-7-12-24-22(28)19-10-11-20-21(16-19)29-23(25-20)26-13-4-3-5-14-26/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,24,28)
InChIKeyHGWXXIZNTGIZDG-UHFFFAOYSA-N
XLogP4.67
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.62
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-1,3-benzothiazole-6-carboxamide
CID 20889684
2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-1,3-benzothiazole-6-carboxamide
CID 20889662
2-piperidin-1-yl-N-propan-2-yl-1,3-benzothiazole-6-carboxamide
CID 20889589
2-pyrrolidin-1-yl-1,3-benzothiazole-6-carboxylic acid
CID 53212651
N-(4-methylphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 46261514
N-(4-methoxyphenyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 118618781
N-(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide
CID 20889588
N-[2-[di(propan-2-yl)amino]ethyl]-2-morpholin-4-yl-1,3-benzothiazole-6-carboxamide
CID 117090773
N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 20886690
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
8-chloro-N-[3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]propyl]-6-methylbenzo[b][1,4]benzothiazepine-3-carboxamide
CID 92656957
(3S)-N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 98460153

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide (CID 20889620) is N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide is CC1CCCC(C)N1CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1.
What is the InChIKey of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
The InChIKey is HGWXXIZNTGIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4OS/c1-17-8-6-9-18(2)27(17)15-7-12-24-22(28)19-10-11-20-21(16-19)29-23(25-20)26-13-4-3-5-14-26/h10-11,16-18H,3-9,12-15H2,1-2H3,(H,24,28).
What are the key properties of N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide?
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide has a molecular weight of 414.62 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2-piperidin-1-yl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 20889620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).