(7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

C18H20FN3O — CID 46228439

IUPAC(7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cccc(O[C@H]2CCc3ccc(N4CCNCC4)nc32)c1
InChIInChI=1S/C18H20FN3O/c19-14-2-1-3-15(12-14)23-16-6-4-13-5-7-17(21-18(13)16)22-10-8-20-9-11-22/h1-3,5,7,12,16,20H,4,6,8-11H2/t16-/m0/s1
InChIKeyCIKMVPIYQNULFA-INIZCTEOSA-N
MW313.38 g/mol
LogP2.70
Rot. Bonds3

About (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine

(7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 46228439) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID46228439
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name(7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESFc1cccc(O[C@H]2CCc3ccc(N4CCNCC4)nc32)c1
InChIInChI=1S/C18H20FN3O/c19-14-2-1-3-15(12-14)23-16-6-4-13-5-7-17(21-18(13)16)22-10-8-20-9-11-22/h1-3,5,7,12,16,20H,4,6,8-11H2/t16-/m0/s1
InChIKeyCIKMVPIYQNULFA-INIZCTEOSA-N
XLogP2.70
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-{[3-({[2-(3-Fluorophenyl)ethyl]amino}methyl)phenoxy]methyl}-4-Methylpyridin-2-Amine
CID 71627413
(S)-7-(2,5-difluorobenzyloxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11949706
(S)-7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11949712
(S)-7-(2-chlorophenoxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 46228425
7-(2-chlorophenoxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 46228438
3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-5-(4-methylpyridin-2-yloxy)pyrazin-2-amine
CID 9980466
5-(4,6-dimethylpyridin-2-yloxy)-N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl)-3,6-diethylpyrazin-2-amine
CID 10048452
(S)-7-(5-fluoro-2-methylbenzyloxy)-2-((R)-2-methylpiperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11949710
(S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11952353
3,6-diethyl-N-((1R,2S)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-yl)-5-(pyridin-2-yloxy)pyrazin-2-amine
CID 44443627
N-((1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl)-3,6-diethyl-5-(6-methylpyridin-2-yloxy)pyrazin-2-amine
CID 44443642
5-(4,6-dimethylpyridin-2-yloxy)-3,6-diethyl-N-((1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl)pyrazin-2-amine
CID 44443650

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 46228439) is (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is Fc1cccc(O[C@H]2CCc3ccc(N4CCNCC4)nc32)c1.
What is the InChIKey of (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is CIKMVPIYQNULFA-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20FN3O/c19-14-2-1-3-15(12-14)23-16-6-4-13-5-7-17(21-18(13)16)22-10-8-20-9-11-22/h1-3,5,7,12,16,20H,4,6,8-11H2/t16-/m0/s1.
What are the key properties of (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 313.38 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3-fluorophenoxy)-2-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 46228439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).