N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide

C19H22ClN3O2S — CID 53149559

IUPACN-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H22ClN3O2S/c1-13(24)21-9-8-17-12-26-18(22-17)15-3-2-10-23(11-15)19(25)14-4-6-16(20)7-5-14/h4-7,12,15H,2-3,8-11H2,1H3,(H,21,24)
InChIKeyYEPHYPQPUOKQPK-UHFFFAOYSA-N
MW391.92 g/mol
LogP3.49
Rot. Bonds5

About N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide

N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 53149559) has the molecular formula C19H22ClN3O2S and a molecular weight of 391.92 g/mol. Its IUPAC name is N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID53149559
Molecular FormulaC19H22ClN3O2S
Molecular Weight391.92 g/mol
Exact Mass391.11
IUPAC NameN-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C19H22ClN3O2S/c1-13(24)21-9-8-17-12-26-18(22-17)15-3-2-10-23(11-15)19(25)14-4-6-16(20)7-5-14/h4-7,12,15H,2-3,8-11H2,1H3,(H,21,24)
InChIKeyYEPHYPQPUOKQPK-UHFFFAOYSA-N
XLogP3.49
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.92
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 7119113
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CID 7518316
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CID 22583819
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CID 42643068
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CID 42643069
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CID 137548387
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CID 711975
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 53149559) is N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is CC(=O)NCCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is YEPHYPQPUOKQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O2S/c1-13(24)21-9-8-17-12-26-18(22-17)15-3-2-10-23(11-15)19(25)14-4-6-16(20)7-5-14/h4-7,12,15H,2-3,8-11H2,1H3,(H,21,24).
What are the key properties of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide?
N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 391.92 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 53149559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).