4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

C21H27N3O4S — CID 24819478

IUPAC4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C)n3)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-15-23-17(14-29-15)13-22-21(26)16-3-5-18(6-4-16)28-19-7-10-24(11-8-19)20(25)9-12-27-2/h3-6,14,19H,7-13H2,1-2H3,(H,22,26)
InChIKeyYTABNYNTBSUBQK-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.79
Rot. Bonds8

About 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide

4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 24819478) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID24819478
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCOCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C)n3)cc2)CC1
InChIInChI=1S/C21H27N3O4S/c1-15-23-17(14-29-15)13-22-21(26)16-3-5-18(6-4-16)28-19-7-10-24(11-8-19)20(25)9-12-27-2/h3-6,14,19H,7-13H2,1-2H3,(H,22,26)
InChIKeyYTABNYNTBSUBQK-UHFFFAOYSA-N
XLogP2.79
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide with MolForge

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Related Compounds

N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
2-{[1-(methylsulfonyl)piperidin-4-yl]oxy}-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 16189568
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
N-[(4,5-dimethylthiazol-2-yl)methyl]-3-[(1-isopropyl-4-piperidyl)oxy]-4-methoxy-benzamide
CID 24793288
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24794214
4-[(1-acetyl-4-piperidinyl)oxy]-3-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 24816675
(3-Isopropoxyphenyl){1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}methanone
CID 24820095
3-Methoxy-N-({2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009273
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35541451
N-(2-morpholin-4-ylphenyl)-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 9265982

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide (CID 24819478) is 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is COCCC(=O)N1CCC(Oc2ccc(C(=O)NCc3csc(C)n3)cc2)CC1.
What is the InChIKey of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is YTABNYNTBSUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-15-23-17(14-29-15)13-22-21(26)16-3-5-18(6-4-16)28-19-7-10-24(11-8-19)20(25)9-12-27-2/h3-6,14,19H,7-13H2,1-2H3,(H,22,26).
What are the key properties of 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide?
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 24819478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).