1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid

C16H19N3O2 — CID 114422251

IUPAC1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(c2nc3c(cc2C#N)CCC3)C(C(=O)O)C1
InChIInChI=1S/C16H19N3O2/c1-10-5-6-19(14(7-10)16(20)21)15-12(9-17)8-11-3-2-4-13(11)18-15/h8,10,14H,2-7H2,1H3,(H,20,21)
InChIKeyKUDGGPXAIRNACQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds2

About 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid

1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid (PubChem CID 114422251) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid
PubChem CID114422251
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid
SMILESCC1CCN(c2nc3c(cc2C#N)CCC3)C(C(=O)O)C1
InChIInChI=1S/C16H19N3O2/c1-10-5-6-19(14(7-10)16(20)21)15-12(9-17)8-11-3-2-4-13(11)18-15/h8,10,14H,2-7H2,1H3,(H,20,21)
InChIKeyKUDGGPXAIRNACQ-UHFFFAOYSA-N
XLogP2.13
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid (CID 114422251) is 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid is CC1CCN(c2nc3c(cc2C#N)CCC3)C(C(=O)O)C1.
What is the InChIKey of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid?
The InChIKey is KUDGGPXAIRNACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-10-5-6-19(14(7-10)16(20)21)15-12(9-17)8-11-3-2-4-13(11)18-15/h8,10,14H,2-7H2,1H3,(H,20,21).
What are the key properties of 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid?
1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid has a molecular weight of 285.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-4-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114422251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).