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

C21H29N3OS — CID 121109192

IUPACN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCC1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H29N3OS/c25-20(14-16-6-2-1-3-7-16)22-15-17-10-12-24(13-11-17)21-23-18-8-4-5-9-19(18)26-21/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H,22,25)
InChIKeyXPOIYQZEIGWTLK-UHFFFAOYSA-N
MW371.55 g/mol
LogP4.60
Rot. Bonds5

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

N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide (PubChem CID 121109192) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
PubChem CID121109192
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC NameN-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide
SMILESO=C(CC1CCCCC1)NCC1CCN(c2nc3ccccc3s2)CC1
InChIInChI=1S/C21H29N3OS/c25-20(14-16-6-2-1-3-7-16)22-15-17-10-12-24(13-11-17)21-23-18-8-4-5-9-19(18)26-21/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H,22,25)
InChIKeyXPOIYQZEIGWTLK-UHFFFAOYSA-N
XLogP4.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide?
The IUPAC name of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide (CID 121109192) is N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide is O=C(CC1CCCCC1)NCC1CCN(c2nc3ccccc3s2)CC1.
What is the InChIKey of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide?
The InChIKey is XPOIYQZEIGWTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c25-20(14-16-6-2-1-3-7-16)22-15-17-10-12-24(13-11-17)21-23-18-8-4-5-9-19(18)26-21/h4-5,8-9,16-17H,1-3,6-7,10-15H2,(H,22,25).
What are the key properties of N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide?
N-[[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]methyl]-2-cyclohexylacetamide has a molecular weight of 371.55 g/mol, XLogP of 4.60, 5 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]-2-cyclohexylacetamide is sourced from PubChem (CID 121109192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).