1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid

C12H20N2O4 — CID 57143498

IUPAC1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1(C(=O)O)CCNCC1
InChIInChI=1S/C12H20N2O4/c15-10(16)9-3-1-2-8-14(9)12(11(17)18)4-6-13-7-5-12/h9,13H,1-8H2,(H,15,16)(H,17,18)
InChIKeyFVEXNDGMIUFNEK-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.13
Rot. Bonds3

About 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid

1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 57143498) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid
PubChem CID57143498
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C1(C(=O)O)CCNCC1
InChIInChI=1S/C12H20N2O4/c15-10(16)9-3-1-2-8-14(9)12(11(17)18)4-6-13-7-5-12/h9,13H,1-8H2,(H,15,16)(H,17,18)
InChIKeyFVEXNDGMIUFNEK-UHFFFAOYSA-N
XLogP0.13
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-amino-2-(4-boronobutyl)piperidine-2-carboxylic acid
CID 154674929
(2R)-6-borono-2-(methylamino)-2-(2-piperidin-1-ylethyl)hexanoic acid
CID 71600432
4-(Piperidin-1-yl)piperidine-4-carboxylic acid
CID 22185355
4-(Piperazin-1-yl)piperidine-4-carboxylic acid
CID 61242816
[(5r)-5-Carboxy-5-(Methylamino)-7-(Piperidin-1-Yl)heptyl](Trihydroxy)borate(1-)
CID 71295762
4-(2-Oxopiperidin-1-yl)piperidine-4-carboxylic acid
CID 14338263
1-Piperidin-4-ylpiperidine-2-carboxylic acid
CID 21098979
1-(Piperidine-4-carbonyl)piperidine-2-carboxylic acid
CID 21892272
4-(Methylamino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 43753596
4-Amino-4,5-dimethylpiperidine-2-carboxylic acid
CID 58725274
2-(Tert-butylamino)-2-piperidin-3-ylacetic acid
CID 59385201
1-Methyl-4-(methylamino)piperidine-2-carboxylic acid
CID 59398107

Frequently Asked Questions

What is the IUPAC name of 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid (CID 57143498) is 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C1(C(=O)O)CCNCC1.
What is the InChIKey of 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is FVEXNDGMIUFNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c15-10(16)9-3-1-2-8-14(9)12(11(17)18)4-6-13-7-5-12/h9,13H,1-8H2,(H,15,16)(H,17,18).
What are the key properties of 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid?
1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carboxypiperidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 57143498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).