N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide

C20H27N3O2S — CID 18117670

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H27N3O2S/c1-20(2,3)19(25)23-11-9-14(10-12-23)18(24)22(4)13-17-21-15-7-5-6-8-16(15)26-17/h5-8,14H,9-13H2,1-4H3
InChIKeyKQZHVUQOEWWMJF-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.54
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide

N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide (PubChem CID 18117670) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
PubChem CID18117670
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide
SMILESCN(Cc1nc2ccccc2s1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C20H27N3O2S/c1-20(2,3)19(25)23-11-9-14(10-12-23)18(24)22(4)13-17-21-15-7-5-6-8-16(15)26-17/h5-8,14H,9-13H2,1-4H3
InChIKeyKQZHVUQOEWWMJF-UHFFFAOYSA-N
XLogP3.54
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclopropanecarboxamide
CID 60666090
(3S)-1-acetyl-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpiperidine-3-carboxamide
CID 9394280
1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 16857461
1-(2,2-dimethylpropanoyl)-N-methyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 86824162
3-amino-N-(1,3-benzothiazol-2-ylmethyl)-N-methylcyclohexane-1-carboxamide
CID 63042696
N-(1,3-benzothiazol-2-ylmethyl)-1-(4-ethoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 39966577
(3S)-N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 94097425
N-(1,3-benzothiazol-2-ylmethyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 53498759
1-(2,2-dimethylpropanoyl)-N-methyl-N-[(4-phenylphenyl)methyl]piperidine-4-carboxamide
CID 55580804
tert-butyl (2S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 39966571
(2R)-N-(1,3-benzothiazol-2-ylmethyl)-N-methylpyrrolidine-2-carboxamide
CID 103813341
1-(2,2-dimethylpropanoyl)-N-[(4-ethylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 134028771

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide (CID 18117670) is N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide is CN(Cc1nc2ccccc2s1)C(=O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is KQZHVUQOEWWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-20(2,3)19(25)23-11-9-14(10-12-23)18(24)22(4)13-17-21-15-7-5-6-8-16(15)26-17/h5-8,14H,9-13H2,1-4H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide?
N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 373.52 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-1-(2,2-dimethylpropanoyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 18117670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).