N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide

C20H21N3OS — CID 121109178

IUPACN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3OS/c24-19(16-6-2-1-3-7-16)21-14-15-10-12-23(13-11-15)20-22-17-8-4-5-9-18(17)25-20/h1-9,15H,10-14H2,(H,21,24)
InChIKeyMMHNOFACKZYXFN-UHFFFAOYSA-N
MW351.47 g/mol
LogP3.94
Rot. Bonds4

About N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide (PubChem CID 121109178) has the molecular formula C20H21N3OS and a molecular weight of 351.47 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
PubChem CID121109178
Molecular FormulaC20H21N3OS
Molecular Weight351.47 g/mol
Exact Mass351.14
IUPAC NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide
SMILESO=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1
InChIInChI=1S/C20H21N3OS/c24-19(16-6-2-1-3-7-16)21-14-15-10-12-23(13-11-15)20-22-17-8-4-5-9-18(17)25-20/h1-9,15H,10-14H2,(H,21,24)
InChIKeyMMHNOFACKZYXFN-UHFFFAOYSA-N
XLogP3.94
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-3-chlorobenzamide
CID 121109215
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-propylbenzamide
CID 121109224
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]furan-2-carboxamide
CID 121109173
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2,6-dimethoxybenzamide
CID 121109264
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-methoxybenzamide
CID 121109207
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-methylthiophene-2-carboxamide
CID 121109190
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
CID 121109192
tert-butyl N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]carbamate
CID 71632518
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-N'-propan-2-yloxamide
CID 121107882
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-4-chloro-3-nitrobenzamide
CID 121109299
3-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]propanoic acid
CID 62215979
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-5-chloro-2-methoxybenzamide
CID 121109275

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide?
The IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide (CID 121109178) is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide.
What is the SMILES notation for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide?
The canonical SMILES for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide is O=C(NCC1CCN(c2nc3ccccc3s2)CC1)c1ccccc1.
What is the InChIKey of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide?
The InChIKey is MMHNOFACKZYXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c24-19(16-6-2-1-3-7-16)21-14-15-10-12-23(13-11-15)20-22-17-8-4-5-9-18(17)25-20/h1-9,15H,10-14H2,(H,21,24).
What are the key properties of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide?
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide has a molecular weight of 351.47 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]benzamide is sourced from PubChem (CID 121109178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).