(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

C21H25N3O2 — CID 72939151

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCOc1nc2c(cc1C(=O)N1CCN(C)CC1c1ccccc1)CCC2
InChIInChI=1S/C21H25N3O2/c1-23-11-12-24(19(14-23)15-7-4-3-5-8-15)21(25)17-13-16-9-6-10-18(16)22-20(17)26-2/h3-5,7-8,13,19H,6,9-12,14H2,1-2H3
InChIKeyWFUSKZUTQWUEOQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.71
Rot. Bonds3

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 72939151) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID72939151
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCOc1nc2c(cc1C(=O)N1CCN(C)CC1c1ccccc1)CCC2
InChIInChI=1S/C21H25N3O2/c1-23-11-12-24(19(14-23)15-7-4-3-5-8-15)21(25)17-13-16-9-6-10-18(16)22-20(17)26-2/h3-5,7-8,13,19H,6,9-12,14H2,1-2H3
InChIKeyWFUSKZUTQWUEOQ-UHFFFAOYSA-N
XLogP2.71
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone 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
[(4aS,7aR)-1-methyl-6,6-dioxo-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazin-4-yl]-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methanone
CID 133112571
2-[(1R)-2-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
CID 97277298
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72896225
(4-methoxyphenyl)-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37332417
(2,3-dimethoxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 55452857
(2,6-dichloro-3-pyridinyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 167526074
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
(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
(3-methoxy-4-methylphenyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 25489891
(6-methoxy-3-pyridinyl)-[(2R)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 37333871

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 72939151) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is COc1nc2c(cc1C(=O)N1CCN(C)CC1c1ccccc1)CCC2.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is WFUSKZUTQWUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-23-11-12-24(19(14-23)15-7-4-3-5-8-15)21(25)17-13-16-9-6-10-18(16)22-20(17)26-2/h3-5,7-8,13,19H,6,9-12,14H2,1-2H3.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 351.45 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 72939151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).