5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid

C12H20N2O4 — CID 54868295

IUPAC5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCC(=O)N1CCC(NC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-9(15)14-7-5-10(6-8-14)13-11(16)3-2-4-12(17)18/h10H,2-8H2,1H3,(H,13,16)(H,17,18)
InChIKeyOVAHCSWAWXYGTP-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.37
Rot. Bonds5

About 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid

5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid (PubChem CID 54868295) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
PubChem CID54868295
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid
SMILESCC(=O)N1CCC(NC(=O)CCCC(=O)O)CC1
InChIInChI=1S/C12H20N2O4/c1-9(15)14-7-5-10(6-8-14)13-11(16)3-2-4-12(17)18/h10H,2-8H2,1H3,(H,13,16)(H,17,18)
InChIKeyOVAHCSWAWXYGTP-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

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Related Compounds

6-[(1-acetylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 54868296
5-(4-acetamidopiperidin-1-yl)-5-oxopentanoic acid
CID 113402147
N-(1-acetylpyrrolidin-3-yl)pentanamide
CID 110871326
5-[(1-ethylsulfonylpiperidin-4-yl)amino]-5-oxopentanoic acid
CID 60942022
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
5-[(1-methylpyrrolidin-3-yl)amino]-5-oxopentanoic acid
CID 61462313
N-(1-acetylpiperidin-4-yl)-5-amino-4-methylpentanamide
CID 82012223
2-[(1-acetylpiperidin-4-yl)amino]-N-cyclopropylacetamide
CID 43231891
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
N-(1-acetylpiperidin-4-yl)acetamide
CID 23402928
N-(1-acetylpiperidin-4-yl)-4-(2-methylphenoxy)butanamide
CID 108561273
5-oxo-5-[(4-propylcyclohexyl)amino]pentanoic acid
CID 54962890

Frequently Asked Questions

What is the IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid (CID 54868295) is 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid is CC(=O)N1CCC(NC(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid?
The InChIKey is OVAHCSWAWXYGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-9(15)14-7-5-10(6-8-14)13-11(16)3-2-4-12(17)18/h10H,2-8H2,1H3,(H,13,16)(H,17,18).
What are the key properties of 5-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid?
5-[(1-acetylpiperidin-4-yl)amino]-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-[(1-acetylpiperidin-4-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 54868295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).