4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

C18H23N3O4 — CID 119185875

IUPAC4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCC(CN3CCCCC3=O)CC2)ccn1
InChIInChI=1S/C18H23N3O4/c22-16-3-1-2-8-21(16)12-13-5-9-20(10-6-13)17(23)14-4-7-19-15(11-14)18(24)25/h4,7,11,13H,1-3,5-6,8-10,12H2,(H,24,25)
InChIKeyGVDWRCOMZWJIGE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.64
Rot. Bonds4

About 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid

4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 119185875) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID119185875
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(=O)N2CCC(CN3CCCCC3=O)CC2)ccn1
InChIInChI=1S/C18H23N3O4/c22-16-3-1-2-8-21(16)12-13-5-9-20(10-6-13)17(23)14-4-7-19-15(11-14)18(24)25/h4,7,11,13H,1-3,5-6,8-10,12H2,(H,24,25)
InChIKeyGVDWRCOMZWJIGE-UHFFFAOYSA-N
XLogP1.64
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126786973
2-[4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]phenoxy]acetamide
CID 119136022
4-[4-[2-(methylamino)-2-oxoethyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119186144
1-[[1-(3-ethylthiophene-2-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 56792637
1-[[1-(2-aminobenzoyl)piperidin-4-yl]methyl]piperidin-2-one
CID 119945615
(2-fluoro-4-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 61295127
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
4-[3-(hydroxymethyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 113384996
1-[[1-(3-methyl-5-phenyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]piperidin-2-one
CID 126791219
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
1-[[1-[6-[[(1R)-1-cyclopropylethyl]amino]pyridine-3-carbonyl]piperidin-4-yl]methyl]pyrrolidin-2-one
CID 26410765
3-[[5-[4-[(2-oxopyrrolidin-1-yl)methyl]piperidine-1-carbonyl]-2-pyridinyl]amino]propanamide
CID 56751758

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid (CID 119185875) is 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is O=C(O)c1cc(C(=O)N2CCC(CN3CCCCC3=O)CC2)ccn1.
What is the InChIKey of 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is GVDWRCOMZWJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c22-16-3-1-2-8-21(16)12-13-5-9-20(10-6-13)17(23)14-4-7-19-15(11-14)18(24)25/h4,7,11,13H,1-3,5-6,8-10,12H2,(H,24,25).
What are the key properties of 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid?
4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-oxopiperidin-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 119185875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).