2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C21H25N3O2 — CID 56706038

IUPAC2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1Oc1ccccc1CN1CCCCC1)CCC2
InChIInChI=1S/C21H25N3O2/c22-20(25)17-13-15-8-6-9-18(15)23-21(17)26-19-10-3-2-7-16(19)14-24-11-4-1-5-12-24/h2-3,7,10,13H,1,4-6,8-9,11-12,14H2,(H2,22,25)
InChIKeyMGVIFPLUBSRHDX-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.45
Rot. Bonds5

About 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 56706038) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID56706038
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNC(=O)c1cc2c(nc1Oc1ccccc1CN1CCCCC1)CCC2
InChIInChI=1S/C21H25N3O2/c22-20(25)17-13-15-8-6-9-18(15)23-21(17)26-19-10-3-2-7-16(19)14-24-11-4-1-5-12-24/h2-3,7,10,13H,1,4-6,8-9,11-12,14H2,(H2,22,25)
InChIKeyMGVIFPLUBSRHDX-UHFFFAOYSA-N
XLogP3.45
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 56706038) is 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NC(=O)c1cc2c(nc1Oc1ccccc1CN1CCCCC1)CCC2.
What is the InChIKey of 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is MGVIFPLUBSRHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-20(25)17-13-15-8-6-9-18(15)23-21(17)26-19-10-3-2-7-16(19)14-24-11-4-1-5-12-24/h2-3,7,10,13H,1,4-6,8-9,11-12,14H2,(H2,22,25).
What are the key properties of 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-1-ylmethyl)phenoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 56706038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).