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

C20H24ClN3O2S — CID 71841813

IUPACN-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-2-18(25)22-10-9-17-13-27-19(23-17)15-4-3-11-24(12-15)20(26)14-5-7-16(21)8-6-14/h5-8,13,15H,2-4,9-12H2,1H3,(H,22,25)
InChIKeyJJDYCVTVJTTXSY-UHFFFAOYSA-N
MW405.95 g/mol
LogP3.88
Rot. Bonds6

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

N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (PubChem CID 71841813) has the molecular formula C20H24ClN3O2S and a molecular weight of 405.95 g/mol. Its IUPAC name is N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
PubChem CID71841813
Molecular FormulaC20H24ClN3O2S
Molecular Weight405.95 g/mol
Exact Mass405.13
IUPAC NameN-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1csc(C2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1
InChIInChI=1S/C20H24ClN3O2S/c1-2-18(25)22-10-9-17-13-27-19(23-17)15-4-3-11-24(12-15)20(26)14-5-7-16(21)8-6-14/h5-8,13,15H,2-4,9-12H2,1H3,(H,22,25)
InChIKeyJJDYCVTVJTTXSY-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-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The IUPAC name of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide (CID 71841813) is N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is CCC(=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]propanamide?
The InChIKey is JJDYCVTVJTTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2S/c1-2-18(25)22-10-9-17-13-27-19(23-17)15-4-3-11-24(12-15)20(26)14-5-7-16(21)8-6-14/h5-8,13,15H,2-4,9-12H2,1H3,(H,22,25).
What are the key properties of N-[2-[2-[1-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide?
N-[2-[2-[1-(4-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-(4-chlorobenzoyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]propanamide is sourced from PubChem (CID 71841813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).