[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone

C21H23N3O3 — CID 97121545

IUPAC[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCOc1nc2c(cc1C(=O)N1CCC[C@@H](C(=O)c3ccccn3)C1)CCC2
InChIInChI=1S/C21H23N3O3/c1-27-20-16(12-14-6-4-9-17(14)23-20)21(26)24-11-5-7-15(13-24)19(25)18-8-2-3-10-22-18/h2-3,8,10,12,15H,4-7,9,11,13H2,1H3/t15-/m1/s1
InChIKeyJXJQFUUIKXELOW-OAHLLOKOSA-N
MW365.43 g/mol
LogP2.71
Rot. Bonds4

About [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone

[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone (PubChem CID 97121545) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone
PubChem CID97121545
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone
SMILESCOc1nc2c(cc1C(=O)N1CCC[C@@H](C(=O)c3ccccn3)C1)CCC2
InChIInChI=1S/C21H23N3O3/c1-27-20-16(12-14-6-4-9-17(14)23-20)21(26)24-11-5-7-15(13-24)19(25)18-8-2-3-10-22-18/h2-3,8,10,12,15H,4-7,9,11,13H2,1H3/t15-/m1/s1
InChIKeyJXJQFUUIKXELOW-OAHLLOKOSA-N
XLogP2.71
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 95862321
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 72878224
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882144
5-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylic acid
CID 50970381
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 72939151
[4-[hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72850348
[4-[(R)-hydroxy(thiophen-2-yl)methyl]piperidin-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 97113772
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72896225
[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 118760599
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125157620
[(1R,6S)-7-[(2,3-difluorophenyl)methyl]-3,7-diazabicyclo[4.2.0]octan-3-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 138807653
[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydro-2,7-naphthyridin-2-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 72923333

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone (CID 97121545) is [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone is COc1nc2c(cc1C(=O)N1CCC[C@@H](C(=O)c3ccccn3)C1)CCC2.
What is the InChIKey of [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone?
The InChIKey is JXJQFUUIKXELOW-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-27-20-16(12-14-6-4-9-17(14)23-20)21(26)24-11-5-7-15(13-24)19(25)18-8-2-3-10-22-18/h2-3,8,10,12,15H,4-7,9,11,13H2,1H3/t15-/m1/s1.
What are the key properties of [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone?
[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone has a molecular weight of 365.43 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 97121545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).