1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

C20H26N4O3S — CID 90611568

IUPAC1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc2nc(N3CCC(C(=O)N4CCN(C(C)=O)CC4)CC3)sc2c1
InChIInChI=1S/C20H26N4O3S/c1-14(25)22-9-11-23(12-10-22)19(26)15-5-7-24(8-6-15)20-21-17-4-3-16(27-2)13-18(17)28-20/h3-4,13,15H,5-12H2,1-2H3
InChIKeyUBPWXJZKOJWQCX-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.21
Rot. Bonds3

About 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone

1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 90611568) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID90611568
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone
SMILESCOc1ccc2nc(N3CCC(C(=O)N4CCN(C(C)=O)CC4)CC3)sc2c1
InChIInChI=1S/C20H26N4O3S/c1-14(25)22-9-11-23(12-10-22)19(26)15-5-7-24(8-6-15)20-21-17-4-3-16(27-2)13-18(17)28-20/h3-4,13,15H,5-12H2,1-2H3
InChIKeyUBPWXJZKOJWQCX-UHFFFAOYSA-N
XLogP2.21
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

azepan-1-yl-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 15995116
[4-(2-hydroxyphenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-4-yl]methanone
CID 90611602
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-methylpiperidine-4-carboxamide
CID 71802530
N-methoxy-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611632
[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
6-methoxy-2-pyrrolidin-1-yl-1,3-benzothiazole
CID 5205722
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 90611616
1-(6-methoxy-1,3-benzothiazol-2-yl)-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 90611508
N-[4-(dimethylamino)phenyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611514
(3,5-dimethoxyphenyl)-[4-(6-methoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 7538973
N-(2-hydroxyphenyl)-1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90611504

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone (CID 90611568) is 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is COc1ccc2nc(N3CCC(C(=O)N4CCN(C(C)=O)CC4)CC3)sc2c1.
What is the InChIKey of 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is UBPWXJZKOJWQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14(25)22-9-11-23(12-10-22)19(26)15-5-7-24(8-6-15)20-21-17-4-3-16(27-2)13-18(17)28-20/h3-4,13,15H,5-12H2,1-2H3.
What are the key properties of 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone?
1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 402.52 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90611568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).