1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide

C17H23N3OS — CID 171691603

IUPAC1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCCc1ccc2nc(N3CCC(C(=O)N(C)C)CC3)sc2c1
InChIInChI=1S/C17H23N3OS/c1-4-12-5-6-14-15(11-12)22-17(18-14)20-9-7-13(8-10-20)16(21)19(2)3/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyBDOOAXFGOAMZEK-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.16
Rot. Bonds3

About 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide

1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 171691603) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID171691603
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCCc1ccc2nc(N3CCC(C(=O)N(C)C)CC3)sc2c1
InChIInChI=1S/C17H23N3OS/c1-4-12-5-6-14-15(11-12)22-17(18-14)20-9-7-13(8-10-20)16(21)19(2)3/h5-6,11,13H,4,7-10H2,1-3H3
InChIKeyBDOOAXFGOAMZEK-UHFFFAOYSA-N
XLogP3.16
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide (CID 171691603) is 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide is CCc1ccc2nc(N3CCC(C(=O)N(C)C)CC3)sc2c1.
What is the InChIKey of 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is BDOOAXFGOAMZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-12-5-6-14-15(11-12)22-17(18-14)20-9-7-13(8-10-20)16(21)19(2)3/h5-6,11,13H,4,7-10H2,1-3H3.
What are the key properties of 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide?
1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 317.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-1,3-benzothiazol-2-yl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 171691603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).