3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide

C24H28N4O4 — CID 24675926

IUPAC3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C24H28N4O4/c25-24(31)17-9-10-21(27-11-2-1-3-12-27)20(14-17)26-22(29)16-32-19-7-4-6-18(15-19)28-13-5-8-23(28)30/h4,6-7,9-10,14-15H,1-3,5,8,11-13,16H2,(H2,25,31)(H,26,29)
InChIKeyHWLNDCWVHYEOKM-UHFFFAOYSA-N
MW436.51 g/mol
LogP2.92
Rot. Bonds7

About 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide

3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide (PubChem CID 24675926) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
PubChem CID24675926
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide
SMILESNC(=O)c1ccc(N2CCCCC2)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C24H28N4O4/c25-24(31)17-9-10-21(27-11-2-1-3-12-27)20(14-17)26-22(29)16-32-19-7-4-6-18(15-19)28-13-5-8-23(28)30/h4,6-7,9-10,14-15H,1-3,5,8,11-13,16H2,(H2,25,31)(H,26,29)
InChIKeyHWLNDCWVHYEOKM-UHFFFAOYSA-N
XLogP2.92
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
3-[(2-naphthalen-2-yloxyacetyl)amino]-4-pyrrolidin-1-ylbenzamide
CID 17432375
3-[[2-(4-iodophenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 55553639
3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-4-pyrrolidin-1-ylbenzamide
CID 41269421
3-[[4-(2-oxopiperidin-1-yl)benzoyl]amino]-4-piperidin-1-ylbenzamide
CID 51112972
N-cyclooctyl-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 18106196
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-[2-(trifluoromethylsulfanyl)phenyl]acetamide
CID 78889287
2-[3-(2-oxopyrrolidin-1-yl)phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 43021553
N-(2-hydroxyethyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78823345
2-[3-(2-oxopiperidin-1-yl)phenoxy]ethanethioamide
CID 43369803
[2-(2,4-difluoroanilino)-2-oxoethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8726445
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide?
The IUPAC name of 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide (CID 24675926) is 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide?
The canonical SMILES for 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide is NC(=O)c1ccc(N2CCCCC2)c(NC(=O)COc2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide?
The InChIKey is HWLNDCWVHYEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c25-24(31)17-9-10-21(27-11-2-1-3-12-27)20(14-17)26-22(29)16-32-19-7-4-6-18(15-19)28-13-5-8-23(28)30/h4,6-7,9-10,14-15H,1-3,5,8,11-13,16H2,(H2,25,31)(H,26,29).
What are the key properties of 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide?
3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide has a molecular weight of 436.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 24675926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).