1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

C22H23ClN4O2S — CID 55812910

IUPAC1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCCc2nc3ccccc3s2)CC1
InChIInChI=1S/C22H23ClN4O2S/c23-16-8-9-19(24-14-16)26-22(29)15-10-12-27(13-11-15)21(28)7-3-6-20-25-17-4-1-2-5-18(17)30-20/h1-2,4-5,8-9,14-15H,3,6-7,10-13H2,(H,24,26,29)
InChIKeyOWBCMXNKRNINKQ-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.54
Rot. Bonds6

About 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide

1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55812910) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
PubChem CID55812910
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCCc2nc3ccccc3s2)CC1
InChIInChI=1S/C22H23ClN4O2S/c23-16-8-9-19(24-14-16)26-22(29)15-10-12-27(13-11-15)21(28)7-3-6-20-25-17-4-1-2-5-18(17)30-20/h1-2,4-5,8-9,14-15H,3,6-7,10-13H2,(H,24,26,29)
InChIKeyOWBCMXNKRNINKQ-UHFFFAOYSA-N
XLogP4.54
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide with MolForge

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Related Compounds

1-(3-aminopropanoyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide;dihydrochloride
CID 119856586
(3R)-1-[4-(1,3-benzothiazol-2-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125149514
4-(1,3-benzothiazol-2-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
CID 38490766
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
N-(5-chloro-2-pyridinyl)-1-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]piperidine-4-carboxamide
CID 55931139
4-(1,3-benzothiazol-2-yl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 119546602
1-[4-(1,3-benzothiazol-2-yl)butanoyl]piperidin-4-one
CID 4875623
methyl 1-[3-(1,3-benzothiazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 2516173
N-(1,3-benzothiazol-2-ylmethyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 39703925
1-(4-amino-3,3-dimethylpiperidin-1-yl)-4-(1,3-benzothiazol-2-yl)butan-1-one;dihydrochloride
CID 120817295
5-(1,3-benzothiazol-2-yl)-1-[4-(ethylaminomethyl)piperidin-1-yl]pentan-1-one
CID 119644362
N-(5-chloro-2-pyridinyl)-1-[3-(4-propan-2-ylphenyl)propanoyl]piperidine-4-carboxamide
CID 55923776

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide (CID 55812910) is 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)CCCc2nc3ccccc3s2)CC1.
What is the InChIKey of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is OWBCMXNKRNINKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c23-16-8-9-19(24-14-16)26-22(29)15-10-12-27(13-11-15)21(28)7-3-6-20-25-17-4-1-2-5-18(17)30-20/h1-2,4-5,8-9,14-15H,3,6-7,10-13H2,(H,24,26,29).
What are the key properties of 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide?
1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzothiazol-2-yl)butanoyl]-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55812910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).