(7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

C19H22ClN3O — CID 46228425

IUPAC(7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2
InChIInChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1
InChIKeyMWHSRYBROGTQTJ-DYVFJYSZSA-N
MW343.86 g/mol
LogP3.60
Rot. Bonds3

About (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine

(7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (PubChem CID 46228425) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name(7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
PubChem CID46228425
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name(7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine
SMILESC[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2
InChIInChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1
InChIKeyMWHSRYBROGTQTJ-DYVFJYSZSA-N
XLogP3.60
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The IUPAC name of (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine (CID 46228425) is (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine.
What is the SMILES notation for (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The canonical SMILES for (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is C[C@@H]1CNCCN1c1ccc2c(n1)[C@@H](Oc1ccccc1Cl)CC2.
What is the InChIKey of (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
The InChIKey is MWHSRYBROGTQTJ-DYVFJYSZSA-N. The full InChI is InChI=1S/C19H22ClN3O/c1-13-12-21-10-11-23(13)18-9-7-14-6-8-17(19(14)22-18)24-16-5-3-2-4-15(16)20/h2-5,7,9,13,17,21H,6,8,10-12H2,1H3/t13-,17+/m1/s1.
What are the key properties of (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine?
(7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine has a molecular weight of 343.86 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(2-chlorophenoxy)-2-[(2R)-2-methylpiperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine is sourced from PubChem (CID 46228425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).