1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid

C16H24N2O6 — CID 57094658

IUPAC1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C16H24N2O6/c19-13(17-7-1-3-11(9-17)15(21)22)5-6-14(20)18-8-2-4-12(10-18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)
InChIKeyIIANADUYJRMBOS-UHFFFAOYSA-N
MW340.38 g/mol
LogP0.41
Rot. Bonds5

About 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid

1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid (PubChem CID 57094658) has the molecular formula C16H24N2O6 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
PubChem CID57094658
Molecular FormulaC16H24N2O6
Molecular Weight340.38 g/mol
Exact Mass340.16
IUPAC Name1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCC(=O)N2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C16H24N2O6/c19-13(17-7-1-3-11(9-17)15(21)22)5-6-14(20)18-8-2-4-12(10-18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)
InChIKeyIIANADUYJRMBOS-UHFFFAOYSA-N
XLogP0.41
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic 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

1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401
1-(4-ethoxy-4-oxobutanoyl)piperidine-3-carboxylic acid
CID 43355863
1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 43183413
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
(3S)-1-(3-piperidin-4-ylpropanoyl)piperidine-3-carboxylic acid
CID 81125925
1-(5-methoxypentanoyl)piperidine-3-carboxylic acid
CID 119167281
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
(3S)-1-(2-piperazin-1-ylacetyl)piperidine-3-carboxylic acid
CID 81125395
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
(3R)-1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylic acid
CID 81121210
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid (CID 57094658) is 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCC(=O)N2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid?
The InChIKey is IIANADUYJRMBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O6/c19-13(17-7-1-3-11(9-17)15(21)22)5-6-14(20)18-8-2-4-12(10-18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24).
What are the key properties of 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid?
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 57094658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).