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

C20H24ClN3O2S — CID 71841798

IUPACN-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-2-18(25)22-9-8-17-13-27-19(23-17)15-6-4-10-24(12-15)20(26)14-5-3-7-16(21)11-14/h3,5,7,11,13,15H,2,4,6,8-10,12H2,1H3,(H,22,25)
InChIKeyZDIGCMWCFOOCTE-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.88
Rot. Bonds6

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

N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841798) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841798
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-2-18(25)22-9-8-17-13-27-19(23-17)15-6-4-10-24(12-15)20(26)14-5-3-7-16(21)11-14/h3,5,7,11,13,15H,2,4,6,8-10,12H2,1H3,(H,22,25)
InChIKeyZDIGCMWCFOOCTE-UHFFFAOYSA-N
XLogP3.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841798) is N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=O)NCCc1csc(C2CCCN(C(=O)c3cccc(Cl)c3)C2)n1.
What is the InChIKey of N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The InChIKey is ZDIGCMWCFOOCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-2-18(25)22-9-8-17-13-27-19(23-17)15-6-4-10-24(12-15)20(26)14-5-3-7-16(21)11-14/h3,5,7,11,13,15H,2,4,6,8-10,12H2,1H3,(H,22,25).
What are the key properties of N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide has a molecular weight of 405.95 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[1-(3-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).