[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C23H25ClN4OS — CID 90610065

IUPAC[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(c2nc3ccccc3s2)C1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN4OS/c24-18-7-9-19(10-8-18)26-12-14-27(15-13-26)22(29)17-4-3-11-28(16-17)23-25-20-5-1-2-6-21(20)30-23/h1-2,5-10,17H,3-4,11-16H2
InChIKeyAIEPLNBIPZKLIU-UHFFFAOYSA-N
MW441.00 g/mol
LogP4.51
Rot. Bonds3

About [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone

[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 90610065) has the molecular formula C23H25ClN4OS and a molecular weight of 441.00 g/mol. Its IUPAC name is [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID90610065
Molecular FormulaC23H25ClN4OS
Molecular Weight441.00 g/mol
Exact Mass440.14
IUPAC Name[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(C1CCCN(c2nc3ccccc3s2)C1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H25ClN4OS/c24-18-7-9-19(10-8-18)26-12-14-27(15-13-26)22(29)17-4-3-11-28(16-17)23-25-20-5-1-2-6-21(20)30-23/h1-2,5-10,17H,3-4,11-16H2
InChIKeyAIEPLNBIPZKLIU-UHFFFAOYSA-N
XLogP4.51
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.00
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-1-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperidin-3-yl]methanone
CID 93068862
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(6-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]methanone
CID 90612025
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 90610083
1-[4-[4-[1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 90611813
ethyl 1-[1-(1,3-benzothiazol-2-yl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 90609936
methyl 1-(1,3-benzothiazol-2-yl)piperidine-3-carboxylate
CID 113223222
[1-(1,3-benzothiazol-2-yl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165435526
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 46808360
3-[(3S)-3-[4-(1,3-benzothiazol-2-yl)piperazine-1-carbonyl]piperidin-1-yl]propanamide
CID 92612217
[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 43982262
[1-(1,3-benzothiazol-2-yl)azetidin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 90604095
[1-(6-methyl-1,3-benzothiazol-2-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 90611653

Frequently Asked Questions

What is the IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 90610065) is [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is O=C(C1CCCN(c2nc3ccccc3s2)C1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is AIEPLNBIPZKLIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4OS/c24-18-7-9-19(10-8-18)26-12-14-27(15-13-26)22(29)17-4-3-11-28(16-17)23-25-20-5-1-2-6-21(20)30-23/h1-2,5-10,17H,3-4,11-16H2.
What are the key properties of [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 441.00 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90610065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).