4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one

C21H23N3O3 — CID 70767057

IUPAC4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1nc2c(cc1C(=O)N1CCN(c3ccc(C)cc3)C(=O)C1)CCC2
InChIInChI=1S/C21H23N3O3/c1-14-6-8-16(9-7-14)24-11-10-23(13-19(24)25)21(26)17-12-15-4-3-5-18(15)22-20(17)27-2/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKeyURNFXUIQEVIRAM-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.38
Rot. Bonds3

About 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one

4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70767057) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
PubChem CID70767057
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCOc1nc2c(cc1C(=O)N1CCN(c3ccc(C)cc3)C(=O)C1)CCC2
InChIInChI=1S/C21H23N3O3/c1-14-6-8-16(9-7-14)24-11-10-23(13-19(24)25)21(26)17-12-15-4-3-5-18(15)22-20(17)27-2/h6-9,12H,3-5,10-11,13H2,1-2H3
InChIKeyURNFXUIQEVIRAM-UHFFFAOYSA-N
XLogP2.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one with MolForge

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Related Compounds

2-methoxy-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97129498
2-methoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 72883236
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
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
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
8a-ethyl-7-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 146044342
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70711644
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[3-(5-methyl-1,2-oxazol-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 28871963
[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 118760599
[(3aR,5R,6R,7aS)-5-hydroxy-6-(1,2,4-triazol-1-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 172664762
[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

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one (CID 70767057) is 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one is COc1nc2c(cc1C(=O)N1CCN(c3ccc(C)cc3)C(=O)C1)CCC2.
What is the InChIKey of 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is URNFXUIQEVIRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-6-8-16(9-7-14)24-11-10-23(13-19(24)25)21(26)17-12-15-4-3-5-18(15)22-20(17)27-2/h6-9,12H,3-5,10-11,13H2,1-2H3.
What are the key properties of 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one?
4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 365.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70767057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).