2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

C15H21N3O2 — CID 62709608

IUPAC2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCN1CCC(Nc2nc3c(cc2C(=O)O)CCC3)CC1
InChIInChI=1S/C15H21N3O2/c1-18-7-5-11(6-8-18)16-14-12(15(19)20)9-10-3-2-4-13(10)17-14/h9,11H,2-8H2,1H3,(H,16,17)(H,19,20)
InChIKeyBCYOAGHKIARLMU-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.77
Rot. Bonds3

About 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid

2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (PubChem CID 62709608) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
PubChem CID62709608
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
SMILESCN1CCC(Nc2nc3c(cc2C(=O)O)CCC3)CC1
InChIInChI=1S/C15H21N3O2/c1-18-7-5-11(6-8-18)16-14-12(15(19)20)9-10-3-2-4-13(10)17-14/h9,11H,2-8H2,1H3,(H,16,17)(H,19,20)
InChIKeyBCYOAGHKIARLMU-UHFFFAOYSA-N
XLogP1.77
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid (CID 62709608) is 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is CN1CCC(Nc2nc3c(cc2C(=O)O)CCC3)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
The InChIKey is BCYOAGHKIARLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-7-5-11(6-8-18)16-14-12(15(19)20)9-10-3-2-4-13(10)17-14/h9,11H,2-8H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid?
2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid is sourced from PubChem (CID 62709608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).