(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone

C26H31N3OS — CID 20889717

IUPAC(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
SMILESCC1CCN(c2nc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3s2)CC1
InChIInChI=1S/C26H31N3OS/c1-19-9-13-29(14-10-19)26-27-23-8-7-22(18-24(23)31-26)25(30)28-15-11-21(12-16-28)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17H2,1H3
InChIKeyPPWBHANQKUSAJW-UHFFFAOYSA-N
MW433.62 g/mol
LogP5.63
Rot. Bonds4

About (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone

(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone (PubChem CID 20889717) has the molecular formula C26H31N3OS and a molecular weight of 433.62 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
PubChem CID20889717
Molecular FormulaC26H31N3OS
Molecular Weight433.62 g/mol
Exact Mass433.22
IUPAC Name(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone
SMILESCC1CCN(c2nc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3s2)CC1
InChIInChI=1S/C26H31N3OS/c1-19-9-13-29(14-10-19)26-27-23-8-7-22(18-24(23)31-26)25(30)28-15-11-21(12-16-28)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17H2,1H3
InChIKeyPPWBHANQKUSAJW-UHFFFAOYSA-N
XLogP5.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.62
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone with MolForge

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Related Compounds

[6-(4-benzylpiperidin-1-yl)-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109152629
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
N-[(3-bromophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide
CID 20886690
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
(4-benzylphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 41115145
(4-benzylpiperidin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667758
2-(4-benzylpiperidin-1-yl)-5-chloro-1,3-benzothiazole
CID 171988061
ethane;[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 157251546
[4-(6-fluoro-1,3-benzothiazol-2-yl)piperazin-1-yl]-phenylmethanone
CID 7539111
(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-(4-propylpiperazin-1-yl)methanone
CID 20889798

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone (CID 20889717) is (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone is CC1CCN(c2nc3ccc(C(=O)N4CCC(Cc5ccccc5)CC4)cc3s2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone?
The InChIKey is PPWBHANQKUSAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3OS/c1-19-9-13-29(14-10-19)26-27-23-8-7-22(18-24(23)31-26)25(30)28-15-11-21(12-16-28)17-20-5-3-2-4-6-20/h2-8,18-19,21H,9-17H2,1H3.
What are the key properties of (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone?
(4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone has a molecular weight of 433.62 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-[2-(4-methylpiperidin-1-yl)-1,3-benzothiazol-6-yl]methanone is sourced from PubChem (CID 20889717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).