N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide

C20H25N3O2S — CID 71835777

IUPACN-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C20H25N3O2S/c1-3-18(24)21-12-16-13-26-19(22-16)15-8-10-23(11-9-15)20(25)17-7-5-4-6-14(17)2/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,24)
InChIKeyGIHJZTVXWSLAJR-UHFFFAOYSA-N
MW371.51 g/mol
LogP3.50
Rot. Bonds5

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

N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (PubChem CID 71835777) has the molecular formula C20H25N3O2S and a molecular weight of 371.51 g/mol. Its IUPAC name is N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
PubChem CID71835777
Molecular FormulaC20H25N3O2S
Molecular Weight371.51 g/mol
Exact Mass371.17
IUPAC NameN-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide
SMILESCCC(=O)NCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1
InChIInChI=1S/C20H25N3O2S/c1-3-18(24)21-12-16-13-26-19(22-16)15-8-10-23(11-9-15)20(25)17-7-5-4-6-14(17)2/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,24)
InChIKeyGIHJZTVXWSLAJR-UHFFFAOYSA-N
XLogP3.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The IUPAC name of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide (CID 71835777) is N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The canonical SMILES for N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is CCC(=O)NCc1csc(C2CCN(C(=O)c3ccccc3C)CC2)n1.
What is the InChIKey of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
The InChIKey is GIHJZTVXWSLAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2S/c1-3-18(24)21-12-16-13-26-19(22-16)15-8-10-23(11-9-15)20(25)17-7-5-4-6-14(17)2/h4-7,13,15H,3,8-12H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide?
N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide has a molecular weight of 371.51 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[1-(2-methylbenzoyl)piperidin-4-yl]-1,3-thiazol-4-yl]methyl]propanamide is sourced from PubChem (CID 71835777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).