1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid

C16H21N3O3 — CID 166113877

IUPAC1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C3CCCNC3=O)cn2)CC1
InChIInChI=1S/C16H21N3O3/c20-15-13(2-1-7-17-15)12-3-4-14(18-10-12)19-8-5-11(6-9-19)16(21)22/h3-4,10-11,13H,1-2,5-9H2,(H,17,20)(H,21,22)
InChIKeyXIJQIOWREBCWMK-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.38
Rot. Bonds3

About 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 166113877) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID166113877
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc(C3CCCNC3=O)cn2)CC1
InChIInChI=1S/C16H21N3O3/c20-15-13(2-1-7-17-15)12-3-4-14(18-10-12)19-8-5-11(6-9-19)16(21)22/h3-4,10-11,13H,1-2,5-9H2,(H,17,20)(H,21,22)
InChIKeyXIJQIOWREBCWMK-UHFFFAOYSA-N
XLogP1.38
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
3-[6-(azetidin-1-yl)-3-pyridinyl]piperidine-2,6-dione
CID 166113376
1-[1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 168882533
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
3-(6-piperazin-1-yl-3-pyridinyl)piperidine-2,6-dione
CID 166116993
1-[5-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-4-methylpiperidine-4-carboxylic acid
CID 168882542
3-[4-[4-(5-cyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141265351
N-[1-[5-[(3S)-2,6-dioxopiperidin-3-yl]-2-pyridinyl]piperidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 174216532
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
3-[6-[4-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]piperidine-2,6-dione
CID 166112962

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid (CID 166113877) is 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc(C3CCCNC3=O)cn2)CC1.
What is the InChIKey of 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is XIJQIOWREBCWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15-13(2-1-7-17-15)12-3-4-14(18-10-12)19-8-5-11(6-9-19)16(21)22/h3-4,10-11,13H,1-2,5-9H2,(H,17,20)(H,21,22).
What are the key properties of 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 303.36 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-oxopiperidin-3-yl)-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 166113877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).