5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid

C12H20N2O4 — CID 113402147

IUPAC5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
SMILESCC(=O)NC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-9(15)13-10-5-7-14(8-6-10)11(16)3-2-4-12(17)18/h10H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyNGKCUOISJXOLID-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.37
Rot. Bonds5

About 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid

5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid (PubChem CID 113402147) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
PubChem CID113402147
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
SMILESCC(=O)NC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-9(15)13-10-5-7-14(8-6-10)11(16)3-2-4-12(17)18/h10H,2-8H2,1H3,(H,13,15)(H,17,18)
InChIKeyNGKCUOISJXOLID-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 54868295
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
5-oxo-5-(4-pyrrolidin-1-ylpiperidin-1-yl)pentanoic acid
CID 54916584
4-[4-(cyclopropanecarbonylamino)piperidin-1-yl]-4-oxobutanoic acid
CID 54875546
methyl N-[1-(4-oxopentanoyl)piperidin-4-yl]carbamate
CID 108567119
N-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]acetamide
CID 113402232
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
N-[1-(3-aminobutanoyl)piperidin-4-yl]acetamide
CID 115738812
N-[1-(5-bromopentanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 114014853
N-[1-[4-(methylamino)butanoyl]piperidin-4-yl]butanamide
CID 54871679

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid?
The IUPAC name of 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid (CID 113402147) is 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid?
The canonical SMILES for 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid is CC(=O)NC1CCN(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid?
The InChIKey is NGKCUOISJXOLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(15)13-10-5-7-14(8-6-10)11(16)3-2-4-12(17)18/h10H,2-8H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid?
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid has a molecular weight of 256.30 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid is sourced from PubChem (CID 113402147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).