N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

C17H19N3O2S — CID 26251597

IUPACN-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H19N3O2S/c21-15(19-17-18-13-3-1-2-4-14(13)23-17)11-7-9-20(10-8-11)16(22)12-5-6-12/h1-4,11-12H,5-10H2,(H,18,19,21)
InChIKeyOBGIWEOSAWJGDH-UHFFFAOYSA-N
MW329.42 g/mol
LogP2.88
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide

N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (PubChem CID 26251597) has the molecular formula C17H19N3O2S and a molecular weight of 329.42 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
PubChem CID26251597
Molecular FormulaC17H19N3O2S
Molecular Weight329.42 g/mol
Exact Mass329.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H19N3O2S/c21-15(19-17-18-13-3-1-2-4-14(13)23-17)11-7-9-20(10-8-11)16(22)12-5-6-12/h1-4,11-12H,5-10H2,(H,18,19,21)
InChIKeyOBGIWEOSAWJGDH-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 8882216
N-benzo[e][1,3]benzothiazol-2-yl-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 31490504
N-(1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24705272
2,2,2-trifluoroethyl 4-(1,3-benzothiazol-2-ylcarbamoyl)piperidine-1-carboxylate
CID 17491150
N-(1,3-benzothiazol-2-yl)-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118820
1-(cyclopropanecarbonyl)-N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 31154278
N-(1,3-benzothiazol-2-yl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 39088463
N-(1,3-benzothiazol-2-yl)-1-propanoylpiperidine-3-carboxamide
CID 60527440
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 51324893
1-(1,3-benzothiazol-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609369

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide (CID 26251597) is N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is O=C(Nc1nc2ccccc2s1)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
The InChIKey is OBGIWEOSAWJGDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c21-15(19-17-18-13-3-1-2-4-14(13)23-17)11-7-9-20(10-8-11)16(22)12-5-6-12/h1-4,11-12H,5-10H2,(H,18,19,21).
What are the key properties of N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide?
N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide has a molecular weight of 329.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 26251597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).