N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C21H21N3O2S — CID 31490504

IUPACN-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H21N3O2S/c25-19(14-9-11-24(12-10-14)20(26)15-5-6-15)23-21-22-18-16-4-2-1-3-13(16)7-8-17(18)27-21/h1-4,7-8,14-15H,5-6,9-12H2,(H,22,23,25)
InChIKeyDWKROJNNNFTDLN-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.04
Rot. Bonds3

About N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 31490504) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID31490504
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC NameN-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2c(ccc3ccccc32)s1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C21H21N3O2S/c25-19(14-9-11-24(12-10-14)20(26)15-5-6-15)23-21-22-18-16-4-2-1-3-13(16)7-8-17(18)27-21/h1-4,7-8,14-15H,5-6,9-12H2,(H,22,23,25)
InChIKeyDWKROJNNNFTDLN-UHFFFAOYSA-N
XLogP4.04
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630434
N-benzo[e][1,3]benzothiazol-2-yloxane-4-carboxamide
CID 17430695
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 26251597
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 16831696
N-benzo[e][1,3]benzothiazol-2-yl-1-methylsulfonylpyrrolidine-2-carboxamide
CID 17436210
N-benzo[e][1,3]benzothiazol-2-yl-1-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46597297
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 16828858
N-benzo[e][1,3]benzothiazol-2-yl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 16829102
N-benzo[e][1,3]benzothiazol-2-yl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 112763498
N-benzo[e][1,3]benzothiazol-2-yl-2,2-dimethylpropanamide
CID 2340220
N-benzo[e][1,3]benzothiazol-2-yl-2-(2-oxoazocan-1-yl)acetamide
CID 55755320
1-(cyclopropanecarbonyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 31154278

Frequently Asked Questions

What is the IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 31490504) is N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(Nc1nc2c(ccc3ccccc32)s1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is DWKROJNNNFTDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-19(14-9-11-24(12-10-14)20(26)15-5-6-15)23-21-22-18-16-4-2-1-3-13(16)7-8-17(18)27-21/h1-4,7-8,14-15H,5-6,9-12H2,(H,22,23,25).
What are the key properties of N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 31490504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).