(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

C26H32N4O2S — CID 20883791

IUPAC(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESCCOc1ccc2nc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)sc2c1
InChIInChI=1S/C26H32N4O2S/c1-2-32-22-8-9-23-24(18-22)33-26(27-23)30-12-10-21(11-13-30)25(31)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-9,18,21H,2,10-17,19H2,1H3
InChIKeyTWCKHJJOSFNRTB-UHFFFAOYSA-N
MW464.64 g/mol
LogP4.26
Rot. Bonds6

About (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone

(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 20883791) has the molecular formula C26H32N4O2S and a molecular weight of 464.64 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
PubChem CID20883791
Molecular FormulaC26H32N4O2S
Molecular Weight464.64 g/mol
Exact Mass464.22
IUPAC Name(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
SMILESCCOc1ccc2nc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)sc2c1
InChIInChI=1S/C26H32N4O2S/c1-2-32-22-8-9-23-24(18-22)33-26(27-23)30-12-10-21(11-13-30)25(31)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-9,18,21H,2,10-17,19H2,1H3
InChIKeyTWCKHJJOSFNRTB-UHFFFAOYSA-N
XLogP4.26
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.64
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperazin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667756
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 20883789
[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 6625002
(4-benzylpiperidin-1-yl)-[(3R)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 92667758
N-(1-benzylpiperidin-4-yl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
CID 20883827
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90611568
1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-phenylsulfanylethanone
CID 7539057
2-(4-benzylpiperazin-1-yl)-6-methoxy-1,3-benzothiazole
CID 90601897
azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
(4-benzylpiperazin-1-yl)-[1-(6-fluoro-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90610151
N-benzyl-1-(cyclopropanecarbonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 55331390
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611602

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone (CID 20883791) is (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is CCOc1ccc2nc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)sc2c1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is TWCKHJJOSFNRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2S/c1-2-32-22-8-9-23-24(18-22)33-26(27-23)30-12-10-21(11-13-30)25(31)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-9,18,21H,2,10-17,19H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone?
(4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 464.64 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 20883791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).