3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid

C16H21N3O4 — CID 120536705

IUPAC3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
SMILESCNC(=O)c1ccc(C(=O)N2CCCCC2CCC(=O)O)cn1
InChIInChI=1S/C16H21N3O4/c1-17-15(22)13-7-5-11(10-18-13)16(23)19-9-3-2-4-12(19)6-8-14(20)21/h5,7,10,12H,2-4,6,8-9H2,1H3,(H,17,22)(H,20,21)
InChIKeyPGEDMKDXEHQADT-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.30
Rot. Bonds5

About 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid

3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid (PubChem CID 120536705) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
PubChem CID120536705
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
SMILESCNC(=O)c1ccc(C(=O)N2CCCCC2CCC(=O)O)cn1
InChIInChI=1S/C16H21N3O4/c1-17-15(22)13-7-5-11(10-18-13)16(23)19-9-3-2-4-12(19)6-8-14(20)21/h5,7,10,12H,2-4,6,8-9H2,1H3,(H,17,22)(H,20,21)
InChIKeyPGEDMKDXEHQADT-UHFFFAOYSA-N
XLogP1.30
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 120536442
N-methyl-5-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyridine-2-carboxamide
CID 95603465
3-[1-(5-fluoropyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 104638221
3-[1-(5-cyanopyridine-2-carbonyl)piperidin-2-yl]propanoic acid
CID 63722666
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598
3-[1-(3,4-dimethylbenzoyl)piperidin-2-yl]propanoic acid
CID 62216098
6-[2-(2-hydroxyethyl)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 43427369
3-[1-[4-(phenylcarbamoyl)benzoyl]piperidin-2-yl]propanoic acid
CID 120536874
3-[1-(3-bromo-4-chlorobenzoyl)piperidin-2-yl]propanoic acid
CID 107997829
3-[1-(3-bromo-4-methylbenzoyl)piperidin-2-yl]propanoic acid
CID 81458499
[6-(methylamino)-3-pyridinyl]-(2-propylpiperidin-1-yl)methanone
CID 83061594

Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid (CID 120536705) is 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid is CNC(=O)c1ccc(C(=O)N2CCCCC2CCC(=O)O)cn1.
What is the InChIKey of 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
The InChIKey is PGEDMKDXEHQADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-17-15(22)13-7-5-11(10-18-13)16(23)19-9-3-2-4-12(19)6-8-14(20)21/h5,7,10,12H,2-4,6,8-9H2,1H3,(H,17,22)(H,20,21).
What are the key properties of 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid?
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid has a molecular weight of 319.36 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 120536705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).