5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide

C18H26N2O5S — CID 55909333

IUPAC5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-25-16-8-6-14(7-9-16)17(21)4-3-5-18(22)19-15-10-12-20(13-11-15)26(2,23)24/h6-9,15H,3-5,10-13H2,1-2H3,(H,19,22)
InChIKeyNLXGQZNFTKJJMX-UHFFFAOYSA-N
MW382.48 g/mol
LogP1.59
Rot. Bonds8

About 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide

5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide (PubChem CID 55909333) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
PubChem CID55909333
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1
InChIInChI=1S/C18H26N2O5S/c1-25-16-8-6-14(7-9-16)17(21)4-3-5-18(22)19-15-10-12-20(13-11-15)26(2,23)24/h6-9,15H,3-5,10-13H2,1-2H3,(H,19,22)
InChIKeyNLXGQZNFTKJJMX-UHFFFAOYSA-N
XLogP1.59
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-(1-benzylpiperidin-4-yl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 55913747
3-[5-(4-methoxyphenyl)furan-2-yl]-N-(1-methylsulfonylpiperidin-4-yl)propanamide
CID 46462462
5-(4-methoxyphenyl)-5-oxo-N-(2-piperidin-1-ylsulfonylethyl)pentanamide
CID 110306650
2-methoxy-N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]acetamide
CID 108562538
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
2-[[4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46462394
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
2-(4-tert-butylphenoxy)-N-(1-methylsulfonylpiperidin-4-yl)acetamide
CID 46419745
4-(4-methoxyphenyl)-4-oxo-N-piperidin-3-ylbutanamide
CID 119426454

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide (CID 55909333) is 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)NC2CCN(S(C)(=O)=O)CC2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide?
The InChIKey is NLXGQZNFTKJJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-25-16-8-6-14(7-9-16)17(21)4-3-5-18(22)19-15-10-12-20(13-11-15)26(2,23)24/h6-9,15H,3-5,10-13H2,1-2H3,(H,19,22).
What are the key properties of 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide?
5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide has a molecular weight of 382.48 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopentanamide is sourced from PubChem (CID 55909333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).